1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol

C14H20ClNO — CID 19816177

IUPAC1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)(c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16(2)9-8-14(17,11-6-7-11)12-4-3-5-13(15)10-12/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyJLVBVIWFCHUOID-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.89
Rot. Bonds5

About 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol

1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol (PubChem CID 19816177) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol
PubChem CID19816177
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)(c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16(2)9-8-14(17,11-6-7-11)12-4-3-5-13(15)10-12/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyJLVBVIWFCHUOID-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24834786
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1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
(2R)-2-(3-chlorophenyl)pentan-2-ol
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(1S)-1-(3-chlorophenyl)-2-(2-methoxyethoxy)-1-piperidin-3-ylethanol
CID 67192489
tert-butyl 3-[(1R)-1-(3-chlorophenyl)-1-hydroxybutyl]piperidine-1-carboxylate
CID 68713595
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]formamide
CID 87545778
1-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-3-methylurea
CID 59382838
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol (CID 19816177) is 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)(c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol?
The InChIKey is JLVBVIWFCHUOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(2)9-8-14(17,11-6-7-11)12-4-3-5-13(15)10-12/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol?
1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 19816177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).