N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine

C14H21F2NO2 — CID 65304977

IUPACN-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
SMILESCOc1cc(F)c(CCOCCNC(C)C)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)17-5-7-19-6-4-12-13(15)8-11(18-3)9-14(12)16/h8-10,17H,4-7H2,1-3H3
InChIKeyHAUDVBXBDLKCTP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine

N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine (PubChem CID 65304977) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
PubChem CID65304977
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
SMILESCOc1cc(F)c(CCOCCNC(C)C)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)17-5-7-19-6-4-12-13(15)8-11(18-3)9-14(12)16/h8-10,17H,4-7H2,1-3H3
InChIKeyHAUDVBXBDLKCTP-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-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

N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
CID 65305034
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine (CID 65304977) is N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine is COc1cc(F)c(CCOCCNC(C)C)c(F)c1.
What is the InChIKey of N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine?
The InChIKey is HAUDVBXBDLKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)17-5-7-19-6-4-12-13(15)8-11(18-3)9-14(12)16/h8-10,17H,4-7H2,1-3H3.
What are the key properties of N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 65304977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).