3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine

C18H30N2O — CID 43204989

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-16(2)15-18(17-7-4-3-5-8-17)19-9-6-10-20-11-13-21-14-12-20/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3
InChIKeyHECUAEWDHYFAEN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine

3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine (PubChem CID 43204989) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
PubChem CID43204989
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-16(2)15-18(17-7-4-3-5-8-17)19-9-6-10-20-11-13-21-14-12-20/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3
InChIKeyHECUAEWDHYFAEN-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
CID 11512168
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine (CID 43204989) is 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine is CC(C)CC(NCCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine?
The InChIKey is HECUAEWDHYFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)15-18(17-7-4-3-5-8-17)19-9-6-10-20-11-13-21-14-12-20/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3.
What are the key properties of 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine?
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 43204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).