2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol

C18H29NO — CID 106954139

IUPAC2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
SMILESCCCC1CCCC(Nc2cc(C)c(O)cc2C)CC1
InChIInChI=1S/C18H29NO/c1-4-6-15-7-5-8-16(10-9-15)19-17-11-14(3)18(20)12-13(17)2/h11-12,15-16,19-20H,4-10H2,1-3H3
InChIKeySWXMUQMOZGPRAW-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.17
Rot. Bonds4

About 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol

2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol (PubChem CID 106954139) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
PubChem CID106954139
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
SMILESCCCC1CCCC(Nc2cc(C)c(O)cc2C)CC1
InChIInChI=1S/C18H29NO/c1-4-6-15-7-5-8-16(10-9-15)19-17-11-14(3)18(20)12-13(17)2/h11-12,15-16,19-20H,4-10H2,1-3H3
InChIKeySWXMUQMOZGPRAW-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4-[(4-propylcyclohexyl)amino]phenol
CID 106954098
4-[(4-ethylcycloheptyl)amino]-2,5-dimethylphenol
CID 106953853
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol?
The IUPAC name of 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol (CID 106954139) is 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol.
What is the SMILES notation for 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol?
The canonical SMILES for 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol is CCCC1CCCC(Nc2cc(C)c(O)cc2C)CC1.
What is the InChIKey of 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol?
The InChIKey is SWXMUQMOZGPRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-15-7-5-8-16(10-9-15)19-17-11-14(3)18(20)12-13(17)2/h11-12,15-16,19-20H,4-10H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol?
2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol has a molecular weight of 275.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol is sourced from PubChem (CID 106954139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).