1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol

C14H23ClN2O — CID 61416953

IUPAC1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-3-8-16-9-13(18)11-17(2)10-12-6-4-5-7-14(12)15/h4-7,13,16,18H,3,8-11H2,1-2H3
InChIKeyQQFXPGGZAXQLRE-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.13
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol

1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol (PubChem CID 61416953) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
PubChem CID61416953
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-3-8-16-9-13(18)11-17(2)10-12-6-4-5-7-14(12)15/h4-7,13,16,18H,3,8-11H2,1-2H3
InChIKeyQQFXPGGZAXQLRE-UHFFFAOYSA-N
XLogP2.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412616
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol (CID 61416953) is 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol?
The InChIKey is QQFXPGGZAXQLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-8-16-9-13(18)11-17(2)10-12-6-4-5-7-14(12)15/h4-7,13,16,18H,3,8-11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol?
1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 61416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).