1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine

C17H28N2O — CID 43675888

IUPAC1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-17(16-7-5-14(2)6-8-16)18-15(3)13-19-9-11-20-12-10-19/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyGDHIKQNOJNCYBN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine

1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine (PubChem CID 43675888) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
PubChem CID43675888
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-17(16-7-5-14(2)6-8-16)18-15(3)13-19-9-11-20-12-10-19/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyGDHIKQNOJNCYBN-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 75428016
(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 97322268
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963827
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine (CID 43675888) is 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine is CCC(NC(C)CN1CCOCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The InChIKey is GDHIKQNOJNCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(16-7-5-14(2)6-8-16)18-15(3)13-19-9-11-20-12-10-19/h5-8,15,17-18H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 43675888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).