2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol

C17H27NO — CID 158739786

IUPAC2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1ccccc1O)C1CCCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)18(16-10-5-3-4-6-11-16)13-15-9-7-8-12-17(15)19/h7-9,12,14,16,19H,3-6,10-11,13H2,1-2H3
InChIKeyVVFWYOVXUSLRBW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.33
Rot. Bonds4

About 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol

2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol (PubChem CID 158739786) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
PubChem CID158739786
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1ccccc1O)C1CCCCCC1
InChIInChI=1S/C17H27NO/c1-14(2)18(16-10-5-3-4-6-11-16)13-15-9-7-8-12-17(15)19/h7-9,12,14,16,19H,3-6,10-11,13H2,1-2H3
InChIKeyVVFWYOVXUSLRBW-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631505
2,4-dibromo-6-[[cyclopentyl(propan-2-yl)amino]methyl]phenol
CID 154347389
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
2-[[[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexylamino]methyl]phenol
CID 7872369
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
N-cyclopentyl-N-[(2-hydroxyphenyl)methyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 155964421
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 11496596

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol (CID 158739786) is 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol is CC(C)N(Cc1ccccc1O)C1CCCCCC1.
What is the InChIKey of 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is VVFWYOVXUSLRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)18(16-10-5-3-4-6-11-16)13-15-9-7-8-12-17(15)19/h7-9,12,14,16,19H,3-6,10-11,13H2,1-2H3.
What are the key properties of 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol?
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 158739786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).