4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol

C18H29NO — CID 114331493

IUPAC4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-5-4-6-16(10-9-15)19-13-14-7-11-17(20)12-8-14/h7-8,11-12,15-16,19-20H,4-6,9-10,13H2,1-3H3
InChIKeyBOBQCBBNQGKJRX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds3

About 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol

4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol (PubChem CID 114331493) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
PubChem CID114331493
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-5-4-6-16(10-9-15)19-13-14-7-11-17(20)12-8-14/h7-8,11-12,15-16,19-20H,4-6,9-10,13H2,1-3H3
InChIKeyBOBQCBBNQGKJRX-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
CID 115320185
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol?
The IUPAC name of 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol (CID 114331493) is 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol is CC(C)(C)C1CCCC(NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol?
The InChIKey is BOBQCBBNQGKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)15-5-4-6-16(10-9-15)19-13-14-7-11-17(20)12-8-14/h7-8,11-12,15-16,19-20H,4-6,9-10,13H2,1-3H3.
What are the key properties of 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol?
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol is sourced from PubChem (CID 114331493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).