N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine

C17H29N — CID 63509011

IUPACN-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(5,13-18-7-2)12-15-8-10-16(11-9-15)14(3)4/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyWIIQGTJDPFYSMJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds7

About N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine

N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine (PubChem CID 63509011) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
PubChem CID63509011
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(5,13-18-7-2)12-15-8-10-16(11-9-15)14(3)4/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyWIIQGTJDPFYSMJ-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine (CID 63509011) is N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine is CCNCC(C)(CC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is WIIQGTJDPFYSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-17(5,13-18-7-2)12-15-8-10-16(11-9-15)14(3)4/h8-11,14,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 63509011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).