1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol

C16H23Cl2NO — CID 107310679

IUPAC1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2NO/c1-2-10-19-13-6-8-16(20,9-7-13)11-12-4-3-5-14(17)15(12)18/h3-5,13,19-20H,2,6-11H2,1H3
InChIKeyRNNFNSCIIWWTFL-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.21
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol

1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol (PubChem CID 107310679) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
PubChem CID107310679
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2NO/c1-2-10-19-13-6-8-16(20,9-7-13)11-12-4-3-5-14(17)15(12)18/h3-5,13,19-20H,2,6-11H2,1H3
InChIKeyRNNFNSCIIWWTFL-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 107310336
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030535
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol (CID 107310679) is 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The InChIKey is RNNFNSCIIWWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-10-19-13-6-8-16(20,9-7-13)11-12-4-3-5-14(17)15(12)18/h3-5,13,19-20H,2,6-11H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 107310679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).