N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine

C16H27N — CID 81019029

IUPACN-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCNCCC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-17-11-10-14(4)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyAUEJZNNTEWJLNO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine

N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 81019029) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID81019029
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCNCCC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-17-11-10-14(4)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyAUEJZNNTEWJLNO-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.99
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

N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 79018604
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine
CID 65303793
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine (CID 81019029) is N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine is CCNCCC(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is AUEJZNNTEWJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-17-11-10-14(4)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine?
N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 81019029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).