N-methyl-1-phenoxy-5-phenylpentan-3-amine

C18H23NO — CID 60798158

IUPACN-methyl-1-phenoxy-5-phenylpentan-3-amine
SMILESCNC(CCOc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H23NO/c1-19-17(13-12-16-8-4-2-5-9-16)14-15-20-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3
InChIKeyBIBSHIGYDHSLJW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.68
Rot. Bonds8

About N-methyl-1-phenoxy-5-phenylpentan-3-amine

N-methyl-1-phenoxy-5-phenylpentan-3-amine (PubChem CID 60798158) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-phenoxy-5-phenylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-phenoxy-5-phenylpentan-3-amine
PubChem CID60798158
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-phenoxy-5-phenylpentan-3-amine
SMILESCNC(CCOc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H23NO/c1-19-17(13-12-16-8-4-2-5-9-16)14-15-20-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3
InChIKeyBIBSHIGYDHSLJW-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-methyl-1-phenoxynonan-3-amine
CID 55094999
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
CID 59877545
CID 59877545
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
N-methyl-5-methylidene-1-phenoxyheptan-3-amine
CID 66046491
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenoxy-5-phenylpentan-3-amine?
The IUPAC name of N-methyl-1-phenoxy-5-phenylpentan-3-amine (CID 60798158) is N-methyl-1-phenoxy-5-phenylpentan-3-amine.
What is the SMILES notation for N-methyl-1-phenoxy-5-phenylpentan-3-amine?
The canonical SMILES for N-methyl-1-phenoxy-5-phenylpentan-3-amine is CNC(CCOc1ccccc1)CCc1ccccc1.
What is the InChIKey of N-methyl-1-phenoxy-5-phenylpentan-3-amine?
The InChIKey is BIBSHIGYDHSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-17(13-12-16-8-4-2-5-9-16)14-15-20-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3.
What are the key properties of N-methyl-1-phenoxy-5-phenylpentan-3-amine?
N-methyl-1-phenoxy-5-phenylpentan-3-amine has a molecular weight of 269.39 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenoxy-5-phenylpentan-3-amine is sourced from PubChem (CID 60798158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).