N-propylaniline

C9H13N — CID 12153

IUPACN-propylaniline
SMILESCCCNc1ccccc1
InChIInChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyCDZOGLJOFWFVOZ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.51
Rot. Bonds3

About N-propylaniline

N-propylaniline (PubChem CID 12153) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-propylaniline.

Molecular Properties

Compound NameN-propylaniline
PubChem CID12153
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-propylaniline
SMILESCCCNc1ccccc1
InChIInChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyCDZOGLJOFWFVOZ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylethanamine;N-propylaniline
CID 174836088
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N-(2-propylsulfanylethyl)aniline
CID 62577965
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
(2S)-2-amino-3-methylbutanoic acid;N-propylaniline
CID 67669423
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
ethane;N'-phenylethane-1,2-diamine
CID 91048519
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
N-(4-butyloctyl)aniline
CID 175196464
N-phenyl-N'-propylsulfanylethane-1,2-diamine
CID 123519901
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574

Frequently Asked Questions

What is the IUPAC name of N-propylaniline?
The IUPAC name of N-propylaniline (CID 12153) is N-propylaniline.
What is the SMILES notation for N-propylaniline?
The canonical SMILES for N-propylaniline is CCCNc1ccccc1.
What is the InChIKey of N-propylaniline?
The InChIKey is CDZOGLJOFWFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of N-propylaniline?
N-propylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylaniline is sourced from PubChem (CID 12153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).