4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

C18H31N — CID 63498334

IUPAC4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ccccc1CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-14(2)10-17(13-19-12-15(3)4)11-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyQHOWQSDHINODTP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.45
Rot. Bonds8

About 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63498334) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID63498334
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ccccc1CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-14(2)10-17(13-19-12-15(3)4)11-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyQHOWQSDHINODTP-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

N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
2-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498493
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (CID 63498334) is 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is Cc1ccccc1CC(CNCC(C)C)CC(C)C.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is QHOWQSDHINODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(2)10-17(13-19-12-15(3)4)11-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3.
What are the key properties of 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-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 4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63498334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).