1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine

C17H26N2O — CID 63988276

IUPAC1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(CC1CC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(12-15-2-3-15)18-13-16-4-6-17(7-5-16)19-8-10-20-11-9-19/h4-7,14-15,18H,2-3,8-13H2,1H3
InChIKeyHLUCDPHCVDSVQB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine

1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine (PubChem CID 63988276) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
PubChem CID63988276
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(CC1CC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(12-15-2-3-15)18-13-16-4-6-17(7-5-16)19-8-10-20-11-9-19/h4-7,14-15,18H,2-3,8-13H2,1H3
InChIKeyHLUCDPHCVDSVQB-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
4-methylsulfinyl-N-[(4-morpholin-4-ylphenyl)methyl]butan-2-amine
CID 115688233
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
CID 115707907
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine (CID 63988276) is 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine is CC(CC1CC1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?
The InChIKey is HLUCDPHCVDSVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(12-15-2-3-15)18-13-16-4-6-17(7-5-16)19-8-10-20-11-9-19/h4-7,14-15,18H,2-3,8-13H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine?
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63988276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).