[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol

C19H31NO — CID 107229780

IUPAC[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
SMILESCC(C)(C)C1CCCC(NCc2cccc(CO)c2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-8-5-9-18(11-10-17)20-13-15-6-4-7-16(12-15)14-21/h4,6-7,12,17-18,20-21H,5,8-11,13-14H2,1-3H3
InChIKeyIDMLQESACWZAGD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.26
Rot. Bonds4

About [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol

[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol (PubChem CID 107229780) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
PubChem CID107229780
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
SMILESCC(C)(C)C1CCCC(NCc2cccc(CO)c2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-8-5-9-18(11-10-17)20-13-15-6-4-7-16(12-15)14-21/h4,6-7,12,17-18,20-21H,5,8-11,13-14H2,1-3H3
InChIKeyIDMLQESACWZAGD-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
3-[(cyclobutylamino)methyl]phenol
CID 62416890
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol (CID 107229780) is [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol is CC(C)(C)C1CCCC(NCc2cccc(CO)c2)CC1.
What is the InChIKey of [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol?
The InChIKey is IDMLQESACWZAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)17-8-5-9-18(11-10-17)20-13-15-6-4-7-16(12-15)14-21/h4,6-7,12,17-18,20-21H,5,8-11,13-14H2,1-3H3.
What are the key properties of [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol?
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).