N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

C18H31N — CID 105050715

IUPACN-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31N/c1-6-15(5)12-18(19-7-2)17-10-8-9-16(13-17)11-14(3)4/h8-10,13-15,18-19H,6-7,11-12H2,1-5H3
InChIKeyRCYMDUFKKZUPSD-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.97
Rot. Bonds8

About N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (PubChem CID 105050715) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
PubChem CID105050715
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31N/c1-6-15(5)12-18(19-7-2)17-10-8-9-16(13-17)11-14(3)4/h8-10,13-15,18-19H,6-7,11-12H2,1-5H3
InChIKeyRCYMDUFKKZUPSD-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-methyl-1-[3-(2-methylpropyl)phenyl]pentyl]hydrazine
CID 105340703
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (CID 105050715) is N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is CCNC(CC(C)CC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The InChIKey is RCYMDUFKKZUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-15(5)12-18(19-7-2)17-10-8-9-16(13-17)11-14(3)4/h8-10,13-15,18-19H,6-7,11-12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is sourced from PubChem (CID 105050715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).