[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol

C17H27NO — CID 79137587

IUPAC[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2(CN)CCCCCC2)c1C
InChIInChI=1S/C17H27NO/c1-13-8-7-9-15(14(13)2)16(19)17(12-18)10-5-3-4-6-11-17/h7-9,16,19H,3-6,10-12,18H2,1-2H3
InChIKeyJBGIJXATPYXYLF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds3

About [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol

[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol (PubChem CID 79137587) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
PubChem CID79137587
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2(CN)CCCCCC2)c1C
InChIInChI=1S/C17H27NO/c1-13-8-7-9-15(14(13)2)16(19)17(12-18)10-5-3-4-6-11-17/h7-9,16,19H,3-6,10-12,18H2,1-2H3
InChIKeyJBGIJXATPYXYLF-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
CID 79138258
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
CID 80603622
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
CID 105499407
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol (CID 79137587) is [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)C2(CN)CCCCCC2)c1C.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol?
The InChIKey is JBGIJXATPYXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-7-9-15(14(13)2)16(19)17(12-18)10-5-3-4-6-11-17/h7-9,16,19H,3-6,10-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol?
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 79137587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).