3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C18H30N2O — CID 43205019

IUPAC3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCC(C)c1ccc(C(C)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)17-5-7-18(8-6-17)16(3)19-9-4-10-20-11-13-21-14-12-20/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyONNNPACBFVGCRV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds7

About 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 43205019) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID43205019
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCC(C)c1ccc(C(C)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)17-5-7-18(8-6-17)16(3)19-9-4-10-20-11-13-21-14-12-20/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyONNNPACBFVGCRV-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
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

N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 18580971
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103775397
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 43205019) is 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CC(C)c1ccc(C(C)NCCCN2CCOCC2)cc1.
What is the InChIKey of 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is ONNNPACBFVGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)17-5-7-18(8-6-17)16(3)19-9-4-10-20-11-13-21-14-12-20/h5-8,15-16,19H,4,9-14H2,1-3H3.
What are the key properties of 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43205019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).