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

C14H23NO — CID 79570537

IUPACN-methyl-1-phenyl-4-propoxybutan-1-amine
SMILESCCCOCCCC(NC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-11-16-12-7-10-14(15-2)13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyVBDXHMLCYQWTBN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds8

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

N-methyl-1-phenyl-4-propoxybutan-1-amine (PubChem CID 79570537) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-phenyl-4-propoxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-4-propoxybutan-1-amine
PubChem CID79570537
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-phenyl-4-propoxybutan-1-amine
SMILESCCCOCCCC(NC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-11-16-12-7-10-14(15-2)13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyVBDXHMLCYQWTBN-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
CID 115001497
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
4-butoxy-1-phenylbutan-1-amine
CID 61483795
N-methyl-5-methylidene-1-phenylheptan-1-amine
CID 66037848
N-methyl-2-(2-methylpentoxy)-1-phenylethanamine
CID 103283317
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-4-propoxybutan-1-amine?
The IUPAC name of N-methyl-1-phenyl-4-propoxybutan-1-amine (CID 79570537) is N-methyl-1-phenyl-4-propoxybutan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-4-propoxybutan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-4-propoxybutan-1-amine is CCCOCCCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-4-propoxybutan-1-amine?
The InChIKey is VBDXHMLCYQWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-16-12-7-10-14(15-2)13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of N-methyl-1-phenyl-4-propoxybutan-1-amine?
N-methyl-1-phenyl-4-propoxybutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 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-1-amine is sourced from PubChem (CID 79570537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).