2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine

C17H29N — CID 63509171

IUPAC2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1ccc(CC)cc1
InChIInChI=1S/C17H29N/c1-5-12-18-14-17(4,7-3)13-16-10-8-15(6-2)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyWTPWXBFIXQJUGC-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.21
Rot. Bonds8

About 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine

2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine (PubChem CID 63509171) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
PubChem CID63509171
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Cc1ccc(CC)cc1
InChIInChI=1S/C17H29N/c1-5-12-18-14-17(4,7-3)13-16-10-8-15(6-2)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyWTPWXBFIXQJUGC-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
CID 62773198
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine (CID 63509171) is 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)(CC)Cc1ccc(CC)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine?
The InChIKey is WTPWXBFIXQJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-12-18-14-17(4,7-3)13-16-10-8-15(6-2)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine?
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63509171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).