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

C17H19ClFNO — CID 107897068

IUPAC2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-21-15-5-2-12(3-6-15)8-14(11-20)9-13-4-7-16(18)17(19)10-13/h2-7,10,14H,8-9,11,20H2,1H3
InChIKeyYZVTTZDYLVNWHJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds6

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

2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 107897068) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
PubChem CID107897068
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-21-15-5-2-12(3-6-15)8-14(11-20)9-13-4-7-16(18)17(19)10-13/h2-7,10,14H,8-9,11,20H2,1H3
InChIKeyYZVTTZDYLVNWHJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
[2-(4-chloro-3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 107894760
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895492
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107994868
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine (CID 107897068) is 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CC(CN)Cc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is YZVTTZDYLVNWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-21-15-5-2-12(3-6-15)8-14(11-20)9-13-4-7-16(18)17(19)10-13/h2-7,10,14H,8-9,11,20H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 107897068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).