4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol

C14H20ClNO — CID 65075284

IUPAC4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-16-9-4-7-14(17,8-10-16)11-12-5-2-3-6-13(12)15/h2-3,5-6,17H,4,7-11H2,1H3
InChIKeyPIDFCBPNXLSJCX-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.73
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol

4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol (PubChem CID 65075284) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
PubChem CID65075284
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-16-9-4-7-14(17,8-10-16)11-12-5-2-3-6-13(12)15/h2-3,5-6,17H,4,7-11H2,1H3
InChIKeyPIDFCBPNXLSJCX-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65077723
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
3-[(2-chlorophenyl)methyl]thian-3-ol
CID 83825034
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol (CID 65075284) is 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol is CN1CCCC(O)(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol?
The InChIKey is PIDFCBPNXLSJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-9-4-7-14(17,8-10-16)11-12-5-2-3-6-13(12)15/h2-3,5-6,17H,4,7-11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol?
4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol is sourced from PubChem (CID 65075284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).