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

C14H22ClNO2 — CID 107262771

IUPAC1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-2-3-7-18-11-14(17)10-16-9-12-5-4-6-13(15)8-12/h4-6,8,14,16-17H,2-3,7,9-11H2,1H3
InChIKeyKGRCNPKHBHOZKF-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.61
Rot. Bonds9

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

1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol (PubChem CID 107262771) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
PubChem CID107262771
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-2-3-7-18-11-14(17)10-16-9-12-5-4-6-13(15)8-12/h4-6,8,14,16-17H,2-3,7,9-11H2,1H3
InChIKeyKGRCNPKHBHOZKF-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.61
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-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-(1,3-benzodioxol-5-ylmethylamino)-3-butoxypropan-2-ol
CID 107262785
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol (CID 107262771) is 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol is CCCCOCC(O)CNCc1cccc(Cl)c1.
What is the InChIKey of 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The InChIKey is KGRCNPKHBHOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-2-3-7-18-11-14(17)10-16-9-12-5-4-6-13(15)8-12/h4-6,8,14,16-17H,2-3,7,9-11H2,1H3.
What are the key properties of 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol?
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 107262771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).