1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine

C17H19ClFNO — CID 107892055

IUPAC1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-21-15-7-3-12(4-8-15)2-6-14(20)10-13-5-9-16(18)17(19)11-13/h3-5,7-9,11,14H,2,6,10,20H2,1H3
InChIKeyHCORTQBGZMGOMM-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine

1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 107892055) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID107892055
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-21-15-7-3-12(4-8-15)2-6-14(20)10-13-5-9-16(18)17(19)11-13/h3-5,7-9,11,14H,2,6,10,20H2,1H3
InChIKeyHCORTQBGZMGOMM-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
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-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
[2-(4-chloro-3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 107894760
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43786115
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine (CID 107892055) is 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(N)Cc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is HCORTQBGZMGOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-21-15-7-3-12(4-8-15)2-6-14(20)10-13-5-9-16(18)17(19)11-13/h3-5,7-9,11,14H,2,6,10,20H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine?
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 107892055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).