1-(3-propylphenyl)ethanamine

C11H17N — CID 116543909

IUPAC1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(C)N)c1
InChIInChI=1S/C11H17N/c1-3-5-10-6-4-7-11(8-10)9(2)12/h4,6-9H,3,5,12H2,1-2H3
InChIKeyOPZHIUICHSRYGW-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-propylphenyl)ethanamine

1-(3-propylphenyl)ethanamine (PubChem CID 116543909) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-propylphenyl)ethanamine
PubChem CID116543909
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(C)N)c1
InChIInChI=1S/C11H17N/c1-3-5-10-6-4-7-11(8-10)9(2)12/h4,6-9H,3,5,12H2,1-2H3
InChIKeyOPZHIUICHSRYGW-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
1-(3-benzylphenyl)ethanamine
CID 69109207
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
2-(3-propylphenyl)propanal
CID 105436614
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)ethanamine?
The IUPAC name of 1-(3-propylphenyl)ethanamine (CID 116543909) is 1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 1-(3-propylphenyl)ethanamine?
The canonical SMILES for 1-(3-propylphenyl)ethanamine is CCCc1cccc(C(C)N)c1.
What is the InChIKey of 1-(3-propylphenyl)ethanamine?
The InChIKey is OPZHIUICHSRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-10-6-4-7-11(8-10)9(2)12/h4,6-9H,3,5,12H2,1-2H3.
What are the key properties of 1-(3-propylphenyl)ethanamine?
1-(3-propylphenyl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116543909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).