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

C17H22N2 — CID 117041612

IUPACN-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
SMILESCCCc1ccc(N(C)c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-14-5-9-16(10-6-14)19(2)17-11-7-15(13-18)8-12-17/h5-12H,3-4,13,18H2,1-2H3
InChIKeyIXWOKGCYJKNZMK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.87
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline (PubChem CID 117041612) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
PubChem CID117041612
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
SMILESCCCc1ccc(N(C)c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-14-5-9-16(10-6-14)19(2)17-11-7-15(13-18)8-12-17/h5-12H,3-4,13,18H2,1-2H3
InChIKeyIXWOKGCYJKNZMK-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
CID 155740431
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
ethane;1-ethyl-1-(4-propylphenyl)hydrazine
CID 176921539
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
1-propan-2-yl-1-(4-propylphenyl)hydrazine
CID 146617332
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
(4-propylphenyl) hypochlorite
CID 175330115

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline (CID 117041612) is N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline is CCCc1ccc(N(C)c2ccc(CN)cc2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline?
The InChIKey is IXWOKGCYJKNZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-14-5-9-16(10-6-14)19(2)17-11-7-15(13-18)8-12-17/h5-12H,3-4,13,18H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline?
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline is sourced from PubChem (CID 117041612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).