5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

C21H23ClN2O2 — CID 57197920

IUPAC5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCN(C)CCCONC1=C2CC2(c2ccccc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2O2/c1-24(2)11-6-12-25-23-20-17-13-16(22)9-10-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3
InChIKeyVDPGNAMVRSAOFY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.22
Rot. Bonds7

About 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (PubChem CID 57197920) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
PubChem CID57197920
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCN(C)CCCONC1=C2CC2(c2ccccc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2O2/c1-24(2)11-6-12-25-23-20-17-13-16(22)9-10-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3
InChIKeyVDPGNAMVRSAOFY-UHFFFAOYSA-N
XLogP4.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
CID 57109839
N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
CID 56980456
4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57080666
4-chloro-1a-(4-fluorophenyl)-N-[3-(methylamino)propoxy]-1H-cyclopropa[b]chromen-7-amine
CID 57172305
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
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
3-[(17-chloro-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-4-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 11740702
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (CID 57197920) is 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is CN(C)CCCONC1=C2CC2(c2ccccc2)Oc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The InChIKey is VDPGNAMVRSAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-24(2)11-6-12-25-23-20-17-13-16(22)9-10-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine has a molecular weight of 370.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is sourced from PubChem (CID 57197920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).