5-(2-benzylphenoxy)-N-methylpentan-1-amine

C19H25NO — CID 12660345

IUPAC5-(2-benzylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-20-14-8-3-9-15-21-19-13-7-6-12-18(19)16-17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3
InChIKeyGCEBGICLVVDOQI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.05
Rot. Bonds9

About 5-(2-benzylphenoxy)-N-methylpentan-1-amine

5-(2-benzylphenoxy)-N-methylpentan-1-amine (PubChem CID 12660345) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(2-benzylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-benzylphenoxy)-N-methylpentan-1-amine
PubChem CID12660345
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name5-(2-benzylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-20-14-8-3-9-15-21-19-13-7-6-12-18(19)16-17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3
InChIKeyGCEBGICLVVDOQI-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.05
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

2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine;hydrochloride
CID 12660350
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301
2-(2-benzylphenoxy)ethyl-[2-[2-(2-benzylphenoxy)ethyl-diethylazaniumyl]ethyl]-diethylazanium
CID 4117707

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-benzylphenoxy)-N-methylpentan-1-amine (CID 12660345) is 5-(2-benzylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-benzylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-benzylphenoxy)-N-methylpentan-1-amine is CNCCCCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 5-(2-benzylphenoxy)-N-methylpentan-1-amine?
The InChIKey is GCEBGICLVVDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-20-14-8-3-9-15-21-19-13-7-6-12-18(19)16-17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3.
What are the key properties of 5-(2-benzylphenoxy)-N-methylpentan-1-amine?
5-(2-benzylphenoxy)-N-methylpentan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 12660345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).