N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine

C17H19ClFNO — CID 79699083

IUPACN-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1F
InChIInChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)12-8-9-14(18)16(11-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyORUHDOWSAAWIHT-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.58
Rot. Bonds6

About N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine

N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 79699083) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID79699083
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1F
InChIInChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)12-8-9-14(18)16(11-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyORUHDOWSAAWIHT-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(4-chloro-3-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105164514
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(5-bromo-2-chlorophenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115828061

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine (CID 79699083) is N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1F.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is ORUHDOWSAAWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)12-8-9-14(18)16(11-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 79699083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).