N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine

C22H26N2O3 — CID 56980456

IUPACN-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
SMILESCOc1ccccc1C12CC1=C(NOCCCN(C)C)c1ccccc1O2
InChIInChI=1S/C22H26N2O3/c1-24(2)13-8-14-26-23-21-16-9-4-6-11-19(16)27-22(15-18(21)22)17-10-5-7-12-20(17)25-3/h4-7,9-12,23H,8,13-15H2,1-3H3
InChIKeyKPFKBXVNSYVLNY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.57
Rot. Bonds8

About N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine

N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine (PubChem CID 56980456) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
PubChem CID56980456
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
SMILESCOc1ccccc1C12CC1=C(NOCCCN(C)C)c1ccccc1O2
InChIInChI=1S/C22H26N2O3/c1-24(2)13-8-14-26-23-21-16-9-4-6-11-19(16)27-22(15-18(21)22)17-10-5-7-12-20(17)25-3/h4-7,9-12,23H,8,13-15H2,1-3H3
InChIKeyKPFKBXVNSYVLNY-UHFFFAOYSA-N
XLogP3.57
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57197920
2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
CID 57109839
4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57003860
4-bromo-N-[3-(ethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57225758
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 19899503
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
2-[3-(dimethylamino)propoxy]-3-methoxybenzonitrile
CID 20992354

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine?
The IUPAC name of N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine (CID 56980456) is N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine.
What is the SMILES notation for N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine?
The canonical SMILES for N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine is COc1ccccc1C12CC1=C(NOCCCN(C)C)c1ccccc1O2.
What is the InChIKey of N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine?
The InChIKey is KPFKBXVNSYVLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24(2)13-8-14-26-23-21-16-9-4-6-11-19(16)27-22(15-18(21)22)17-10-5-7-12-20(17)25-3/h4-7,9-12,23H,8,13-15H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine?
N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine has a molecular weight of 366.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine is sourced from PubChem (CID 56980456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).