1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine

C17H20ClN — CID 116545336

IUPAC1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
SMILESCCCc1cccc(-c2ccc(C(C)N)c(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)15-8-9-16(12(2)19)17(18)11-15/h4,6-12H,3,5,19H2,1-2H3
InChIKeyLTTBCMCNPZHBAM-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.98
Rot. Bonds4

About 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine

1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine (PubChem CID 116545336) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
PubChem CID116545336
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
SMILESCCCc1cccc(-c2ccc(C(C)N)c(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)15-8-9-16(12(2)19)17(18)11-15/h4,6-12H,3,5,19H2,1-2H3
InChIKeyLTTBCMCNPZHBAM-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-phenyl-3-propylbenzene
CID 4110465
1-(3-propylphenyl)ethanamine
CID 116543909
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
1-[2-chloro-4-(2,3,4,5,6-pentamethylphenyl)phenyl]ethanamine
CID 82777645
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine (CID 116545336) is 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine is CCCc1cccc(-c2ccc(C(C)N)c(Cl)c2)c1.
What is the InChIKey of 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine?
The InChIKey is LTTBCMCNPZHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)15-8-9-16(12(2)19)17(18)11-15/h4,6-12H,3,5,19H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine?
1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine is sourced from PubChem (CID 116545336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).