[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine

C17H22N2 — CID 116936956

IUPAC[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cccc(CN)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11,17H,2,4,12,18-19H2,1H3
InChIKeyUGHUKPWWYMSWHZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.15
Rot. Bonds5

About [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine

[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine (PubChem CID 116936956) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
PubChem CID116936956
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cccc(CN)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11,17H,2,4,12,18-19H2,1H3
InChIKeyUGHUKPWWYMSWHZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
CID 116936981
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
(3-propan-2-ylphenyl)methanamine
CID 21085835
(3-octan-4-ylphenyl)methanamine
CID 142098371
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine (CID 116936956) is [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2cccc(CN)c2)cc1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine?
The InChIKey is UGHUKPWWYMSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-4-13-7-9-15(10-8-13)17(19)16-6-3-5-14(11-16)12-18/h3,5-11,17H,2,4,12,18-19H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine?
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine is sourced from PubChem (CID 116936956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).