N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine

C18H31N — CID 63421085

IUPACN-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
SMILESCCc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C18H31N/c1-4-17-12-8-9-13-18(17)15-19-14-10-6-5-7-11-16(2)3/h8-9,12-13,16,19H,4-7,10-11,14-15H2,1-3H3
InChIKeyKGYRTVVOPSLWDU-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.95
Rot. Bonds10

About N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine

N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 63421085) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
PubChem CID63421085
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
SMILESCCc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C18H31N/c1-4-17-12-8-9-13-18(17)15-19-14-10-6-5-7-11-16(2)3/h8-9,12-13,16,19H,4-7,10-11,14-15H2,1-3H3
InChIKeyKGYRTVVOPSLWDU-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine
CID 142349855
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine (CID 63421085) is N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine is CCc1ccccc1CNCCCCCCC(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is KGYRTVVOPSLWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-17-12-8-9-13-18(17)15-19-14-10-6-5-7-11-16(2)3/h8-9,12-13,16,19H,4-7,10-11,14-15H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine?
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 63421085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).