N-(3-ethylpentan-3-yl)-N-phenylaniline

C19H25N — CID 143940844

IUPACN-(3-ethylpentan-3-yl)-N-phenylaniline
SMILESCCC(CC)(CC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-4-19(5-2,6-3)20(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyQOXNKIRUTBVLGR-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.79
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-N-phenylaniline

N-(3-ethylpentan-3-yl)-N-phenylaniline (PubChem CID 143940844) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-N-phenylaniline
PubChem CID143940844
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(3-ethylpentan-3-yl)-N-phenylaniline
SMILESCCC(CC)(CC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-4-19(5-2,6-3)20(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyQOXNKIRUTBVLGR-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,1-N',1-N'-tetraphenyl-1-silylpropane-1,1-diamine
CID 173414497
N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
CID 166970912
N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline
CID 174956285
N,N-diethylaniline
CID 7061
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
butane;1,1-diphenylurea
CID 70397101
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
2-methyl-2-N,2-N,4-N,4-N-tetraphenyl-4-phosphanylpentane-2,4-diamine
CID 143197481
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-methyl-N-(3-methylhexan-3-yl)aniline
CID 146408930
N,N-diphenylaniline;silane
CID 131739129

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-N-phenylaniline?
The IUPAC name of N-(3-ethylpentan-3-yl)-N-phenylaniline (CID 143940844) is N-(3-ethylpentan-3-yl)-N-phenylaniline.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-N-phenylaniline?
The canonical SMILES for N-(3-ethylpentan-3-yl)-N-phenylaniline is CCC(CC)(CC)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-N-phenylaniline?
The InChIKey is QOXNKIRUTBVLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-19(5-2,6-3)20(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3.
What are the key properties of N-(3-ethylpentan-3-yl)-N-phenylaniline?
N-(3-ethylpentan-3-yl)-N-phenylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-N-phenylaniline is sourced from PubChem (CID 143940844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).