2-phenyl-1-(4-propylphenyl)ethanamine

C17H21N — CID 43100730

IUPAC2-phenyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-2-6-14-9-11-16(12-10-14)17(18)13-15-7-4-3-5-8-15/h3-5,7-12,17H,2,6,13,18H2,1H3
InChIKeyIPVPWMWQSQLOMK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.88
Rot. Bonds5

About 2-phenyl-1-(4-propylphenyl)ethanamine

2-phenyl-1-(4-propylphenyl)ethanamine (PubChem CID 43100730) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-phenyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(4-propylphenyl)ethanamine
PubChem CID43100730
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-phenyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-2-6-14-9-11-16(12-10-14)17(18)13-15-7-4-3-5-8-15/h3-5,7-12,17H,2,6,13,18H2,1H3
InChIKeyIPVPWMWQSQLOMK-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
CID 67924879
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 43093642

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-phenyl-1-(4-propylphenyl)ethanamine (CID 43100730) is 2-phenyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-phenyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)Cc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-propylphenyl)ethanamine?
The InChIKey is IPVPWMWQSQLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-6-14-9-11-16(12-10-14)17(18)13-15-7-4-3-5-8-15/h3-5,7-12,17H,2,6,13,18H2,1H3.
What are the key properties of 2-phenyl-1-(4-propylphenyl)ethanamine?
2-phenyl-1-(4-propylphenyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43100730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).