N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine

C22H31NO — CID 4722697

IUPACN-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H31NO/c1-2-3-4-5-6-12-17-23-18-21-15-10-11-16-22(21)24-19-20-13-8-7-9-14-20/h7-11,13-16,23H,2-6,12,17-19H2,1H3
InChIKeyZFKJWQQYYBSOAU-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.72
Rot. Bonds12

About N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine

N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine (PubChem CID 4722697) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
PubChem CID4722697
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H31NO/c1-2-3-4-5-6-12-17-23-18-21-15-10-11-16-22(21)24-19-20-13-8-7-9-14-20/h7-11,13-16,23H,2-6,12,17-19H2,1H3
InChIKeyZFKJWQQYYBSOAU-UHFFFAOYSA-N
XLogP5.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine (CID 4722697) is N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine is CCCCCCCCNCc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine?
The InChIKey is ZFKJWQQYYBSOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-2-3-4-5-6-12-17-23-18-21-15-10-11-16-22(21)24-19-20-13-8-7-9-14-20/h7-11,13-16,23H,2-6,12,17-19H2,1H3.
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine?
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine is sourced from PubChem (CID 4722697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).