N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline

C20H27N — CID 43111805

IUPACN-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
SMILESCC(C)CC(Nc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)14-20(17-10-6-5-7-11-17)21-19-13-9-8-12-18(19)16(3)4/h5-13,15-16,20-21H,14H2,1-4H3
InChIKeyRVSGZTCVXMTBDQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.01
Rot. Bonds6

About N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline

N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline (PubChem CID 43111805) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
PubChem CID43111805
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
SMILESCC(C)CC(Nc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)14-20(17-10-6-5-7-11-17)21-19-13-9-8-12-18(19)16(3)4/h5-13,15-16,20-21H,14H2,1-4H3
InChIKeyRVSGZTCVXMTBDQ-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43095350
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
2,3,4-trifluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43105914
2,5-difluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43108541
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
4-iodo-2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43717026
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline (CID 43111805) is N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline is CC(C)CC(Nc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline?
The InChIKey is RVSGZTCVXMTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)14-20(17-10-6-5-7-11-17)21-19-13-9-8-12-18(19)16(3)4/h5-13,15-16,20-21H,14H2,1-4H3.
What are the key properties of N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline?
N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline has a molecular weight of 281.44 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline is sourced from PubChem (CID 43111805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).