2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol

C14H20ClNO — CID 60901146

IUPAC2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c15-12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-14(13)17/h6-9,13-14,16-17H,1-5,10H2
InChIKeyTUAGGQOCZCPBHH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.12
Rot. Bonds3

About 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol

2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol (PubChem CID 60901146) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
PubChem CID60901146
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c15-12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-14(13)17/h6-9,13-14,16-17H,1-5,10H2
InChIKeyTUAGGQOCZCPBHH-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol (CID 60901146) is 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol is OC1CCCCCC1NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol?
The InChIKey is TUAGGQOCZCPBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-14(13)17/h6-9,13-14,16-17H,1-5,10H2.
What are the key properties of 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol?
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 60901146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).