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

C18H31NO — CID 29300527

IUPACN-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
SMILESCCOc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C18H31NO/c1-4-20-18-13-9-8-12-17(18)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
InChIKeyZMMJKZBPPDJAGO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.78
Rot. Bonds11

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

N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 29300527) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
PubChem CID29300527
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
SMILESCCOc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C18H31NO/c1-4-20-18-13-9-8-12-17(18)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
InChIKeyZMMJKZBPPDJAGO-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
N'-[(2-ethoxyphenyl)methyl]-N-[2-[2-[6-[(2-ethoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine;hydrochloride
CID 90679886
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine (CID 29300527) is N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine is CCOc1ccccc1CNCCCCCCC(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is ZMMJKZBPPDJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-20-18-13-9-8-12-17(18)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-ethoxyphenyl)methyl]-7-methyloctan-1-amine?
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 29300527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).