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

C16H27N — CID 62528305

IUPACN-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCCNCC(Cc1ccccc1C)CC(C)C
InChIInChI=1S/C16H27N/c1-5-17-12-15(10-13(2)3)11-16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyNGYCOCVMKJYPEQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.81
Rot. Bonds7

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

N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine (PubChem CID 62528305) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
PubChem CID62528305
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCCNCC(Cc1ccccc1C)CC(C)C
InChIInChI=1S/C16H27N/c1-5-17-12-15(10-13(2)3)11-16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyNGYCOCVMKJYPEQ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
N-ethyl-2-[(2-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617665
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-[(5-bromo-2-pyridinyl)methyl]-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 104810521
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
CID 81019266
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine (CID 62528305) is N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine is CCNCC(Cc1ccccc1C)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The InChIKey is NGYCOCVMKJYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-17-12-15(10-13(2)3)11-16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 62528305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).