1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine

C17H22N2 — CID 173452747

IUPAC1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccc(CCN)cc1
InChIInChI=1S/C17H22N2/c1-2-17(19,15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-13-18/h3-11H,2,12-13,18-19H2,1H3
InChIKeyHZJZYTXEHJXRSH-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine

1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine (PubChem CID 173452747) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
PubChem CID173452747
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccc(CCN)cc1
InChIInChI=1S/C17H22N2/c1-2-17(19,15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-13-18/h3-11H,2,12-13,18-19H2,1H3
InChIKeyHZJZYTXEHJXRSH-UHFFFAOYSA-N
XLogP2.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
CID 114872694
azane;2-phenylethanamine
CID 23506485
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
CID 20685417
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050
2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
CID 160539387

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine (CID 173452747) is 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)c1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine?
The InChIKey is HZJZYTXEHJXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-17(19,15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-13-18/h3-11H,2,12-13,18-19H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine?
1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 173452747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).