N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine

C17H29N — CID 158653973

IUPACN-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESC[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3/t13-/m1/s1
InChIKeyCEEMUUBCAVLHPO-CYBMUJFWSA-N
MW247.43 g/mol
LogP4.72
Rot. Bonds3

About N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine

N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 158653973) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID158653973
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESC[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3/t13-/m1/s1
InChIKeyCEEMUUBCAVLHPO-CYBMUJFWSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane
CID 160672592
2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 58241667
1-[[bis[4-(2,2-dimethylpropyl)phenyl]phosphanylamino]-[4-(2,2-dimethylpropyl)phenyl]phosphanyl]-4-(2,2-dimethylpropyl)benzene
CID 87735220
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 58241665
N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
CID 97258597
tris(N-[1-[4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]phenyl]ethyl]-2-methylpropan-2-amine);fluoromethane
CID 161293440

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine (CID 158653973) is N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine is C[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is CEEMUUBCAVLHPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H29N/c1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine?
N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 158653973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).