N-methyl-1-phenyl-4-propoxybutan-2-amine

C14H23NO — CID 105084507

IUPACN-methyl-1-phenyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-3-10-16-11-9-14(15-2)12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyXWNSMGMXLYEQBP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About N-methyl-1-phenyl-4-propoxybutan-2-amine

N-methyl-1-phenyl-4-propoxybutan-2-amine (PubChem CID 105084507) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-phenyl-4-propoxybutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-4-propoxybutan-2-amine
PubChem CID105084507
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-phenyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-3-10-16-11-9-14(15-2)12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyXWNSMGMXLYEQBP-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
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

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1-Methoxy-3-phenylpropan-2-amine
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(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride
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1-(Oxan-4-yl)-1-phenylmethanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-4-propoxybutan-2-amine?
The IUPAC name of N-methyl-1-phenyl-4-propoxybutan-2-amine (CID 105084507) is N-methyl-1-phenyl-4-propoxybutan-2-amine.
What is the SMILES notation for N-methyl-1-phenyl-4-propoxybutan-2-amine?
The canonical SMILES for N-methyl-1-phenyl-4-propoxybutan-2-amine is CCCOCCC(Cc1ccccc1)NC.
What is the InChIKey of N-methyl-1-phenyl-4-propoxybutan-2-amine?
The InChIKey is XWNSMGMXLYEQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-10-16-11-9-14(15-2)12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3.
What are the key properties of N-methyl-1-phenyl-4-propoxybutan-2-amine?
N-methyl-1-phenyl-4-propoxybutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-4-propoxybutan-2-amine is sourced from PubChem (CID 105084507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).