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

C18H31N — CID 63496037

IUPAC2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCCc1ccc(CC(CNC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-16-7-9-17(10-8-16)12-18(11-14(2)3)13-19-15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyAIGULADWJSENNP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.45
Rot. Bonds8

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

2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 63496037) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID63496037
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCCc1ccc(CC(CNC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-16-7-9-17(10-8-16)12-18(11-14(2)3)13-19-15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyAIGULADWJSENNP-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
CID 64663722
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (CID 63496037) is 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine is CCc1ccc(CC(CNC(C)C)CC(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is AIGULADWJSENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-16-7-9-17(10-8-16)12-18(11-14(2)3)13-19-15(4)5/h7-10,14-15,18-19H,6,11-13H2,1-5H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.45, 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]-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63496037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).