N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline

C17H22N2 — CID 115212901

IUPACN-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cccc(CN)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-4-14-7-9-17(10-8-14)19-13-16-6-3-5-15(11-16)12-18/h3,5-11,19H,2,4,12-13,18H2,1H3
InChIKeyUOQHRNUCVJLBAM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline

N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline (PubChem CID 115212901) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
PubChem CID115212901
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cccc(CN)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-4-14-7-9-17(10-8-14)19-13-16-6-3-5-15(11-16)12-18/h3,5-11,19H,2,4,12-13,18H2,1H3
InChIKeyUOQHRNUCVJLBAM-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline (CID 115212901) is N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline is CCCc1ccc(NCc2cccc(CN)c2)cc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline?
The InChIKey is UOQHRNUCVJLBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-4-14-7-9-17(10-8-14)19-13-16-6-3-5-15(11-16)12-18/h3,5-11,19H,2,4,12-13,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline?
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline is sourced from PubChem (CID 115212901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).