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

C18H31N — CID 63522236

IUPACN-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
SMILESCCCC(C)CC(CNCC)Cc1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-5-7-16(4)12-18(14-19-6-2)13-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyFEUDZGUXPNUDTN-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.59
Rot. Bonds9

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

N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine (PubChem CID 63522236) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
PubChem CID63522236
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
SMILESCCCC(C)CC(CNCC)Cc1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-5-7-16(4)12-18(14-19-6-2)13-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3
InChIKeyFEUDZGUXPNUDTN-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
4-methyl-1-(4-methylphenyl)heptan-2-amine
CID 62605792
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
CID 63401940
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine (CID 63522236) is N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine is CCCC(C)CC(CNCC)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine?
The InChIKey is FEUDZGUXPNUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-16(4)12-18(14-19-6-2)13-17-10-8-15(3)9-11-17/h8-11,16,18-19H,5-7,12-14H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine?
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.59, 9 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-[(4-methylphenyl)methyl]heptan-1-amine is sourced from PubChem (CID 63522236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).