5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine

C14H23NO — CID 171986460

IUPAC5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
SMILESCOCC(CCCN(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-15(2)11-7-10-14(12-16-3)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyQXKLWNUJQQSIGH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds7

About 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine

5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine (PubChem CID 171986460) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
PubChem CID171986460
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
SMILESCOCC(CCCN(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-15(2)11-7-10-14(12-16-3)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyQXKLWNUJQQSIGH-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
3-methoxy-2-phenylpropan-1-amine
CID 66968828
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864587
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
bis(3-methoxy-2-phenylpropyl) carbonate
CID 141468293
N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
CID 24838712

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine?
The IUPAC name of 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine (CID 171986460) is 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine.
What is the SMILES notation for 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine?
The canonical SMILES for 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine is COCC(CCCN(C)C)c1ccccc1.
What is the InChIKey of 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine?
The InChIKey is QXKLWNUJQQSIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15(2)11-7-10-14(12-16-3)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3.
What are the key properties of 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine?
5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine is sourced from PubChem (CID 171986460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).