(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine

C16H17ClFN — CID 105050408

IUPAC(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(18)15(13)17/h3-4,6-10,16H,2,5,19H2,1H3
InChIKeyRCCBQJLWJLGHNV-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.48
Rot. Bonds4

About (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine

(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine (PubChem CID 105050408) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
PubChem CID105050408
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(18)15(13)17/h3-4,6-10,16H,2,5,19H2,1H3
InChIKeyRCCBQJLWJLGHNV-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
1-(3-propylphenyl)ethanamine
CID 116543909
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine (CID 105050408) is (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cccc(F)c2Cl)c1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine?
The InChIKey is RCCBQJLWJLGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(18)15(13)17/h3-4,6-10,16H,2,5,19H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine?
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine has a molecular weight of 277.77 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).