4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol

C17H27NO — CID 114331412

IUPAC4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
SMILESCC(C)C1CCCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)15-4-3-5-16(9-8-15)18-12-14-6-10-17(19)11-7-14/h6-7,10-11,13,15-16,18-19H,3-5,8-9,12H2,1-2H3
InChIKeyNZKOOJLSCKYSOB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds4

About 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol

4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol (PubChem CID 114331412) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
PubChem CID114331412
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
SMILESCC(C)C1CCCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)15-4-3-5-16(9-8-15)18-12-14-6-10-17(19)11-7-14/h6-7,10-11,13,15-16,18-19H,3-5,8-9,12H2,1-2H3
InChIKeyNZKOOJLSCKYSOB-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol?
The IUPAC name of 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol (CID 114331412) is 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol is CC(C)C1CCCC(NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol?
The InChIKey is NZKOOJLSCKYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-4-3-5-16(9-8-15)18-12-14-6-10-17(19)11-7-14/h6-7,10-11,13,15-16,18-19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol?
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol is sourced from PubChem (CID 114331412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).