3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine

C17H29N — CID 104827855

IUPAC3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
SMILESCC(C)c1ccc(C(C)NC(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-12(2)15-8-10-16(11-9-15)13(3)18-14(4)17(5,6)7/h8-14,18H,1-7H3
InChIKeyXTZBHFTXDZVDAE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.90
Rot. Bonds4

About 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine

3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine (PubChem CID 104827855) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
PubChem CID104827855
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
SMILESCC(C)c1ccc(C(C)NC(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-12(2)15-8-10-16(11-9-15)13(3)18-14(4)17(5,6)7/h8-14,18H,1-7H3
InChIKeyXTZBHFTXDZVDAE-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 113261798
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine (CID 104827855) is 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine is CC(C)c1ccc(C(C)NC(C)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine?
The InChIKey is XTZBHFTXDZVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)15-8-10-16(11-9-15)13(3)18-14(4)17(5,6)7/h8-14,18H,1-7H3.
What are the key properties of 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine?
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 104827855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).