2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine

C17H29N — CID 45253324

IUPAC2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)(C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29N/c1-7-17(5,6)18-14(4)16-10-8-15(9-11-16)12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyIRTBCWYZFFNQHI-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.72
Rot. Bonds6

About 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine

2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine (PubChem CID 45253324) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
PubChem CID45253324
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)(C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29N/c1-7-17(5,6)18-14(4)16-10-8-15(9-11-16)12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyIRTBCWYZFFNQHI-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 158653973
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine (CID 45253324) is 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine is CCC(C)(C)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine?
The InChIKey is IRTBCWYZFFNQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-17(5,6)18-14(4)16-10-8-15(9-11-16)12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3.
What are the key properties of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine?
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine is sourced from PubChem (CID 45253324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).