4-[1-[(2-methylcyclopropyl)amino]propyl]phenol

C13H19NO — CID 62398897

IUPAC4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
SMILESCCC(NC1CC1C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO/c1-3-12(14-13-8-9(13)2)10-4-6-11(15)7-5-10/h4-7,9,12-15H,3,8H2,1-2H3
InChIKeyRETXNECFWYTWLM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol

4-[1-[(2-methylcyclopropyl)amino]propyl]phenol (PubChem CID 62398897) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
PubChem CID62398897
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
SMILESCCC(NC1CC1C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO/c1-3-12(14-13-8-9(13)2)10-4-6-11(15)7-5-10/h4-7,9,12-15H,3,8H2,1-2H3
InChIKeyRETXNECFWYTWLM-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
N-[1-(4-fluorophenyl)propyl]-2-methylcyclopropan-1-amine
CID 62397881
4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
CID 80715696
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
CID 79855934
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
CID 55013566
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol
CID 43734359
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
4-[1-(2,2-dimethylhydrazinyl)propyl]phenol
CID 83005849

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol (CID 62398897) is 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol is CCC(NC1CC1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol?
The InChIKey is RETXNECFWYTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-12(14-13-8-9(13)2)10-4-6-11(15)7-5-10/h4-7,9,12-15H,3,8H2,1-2H3.
What are the key properties of 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol?
4-[1-[(2-methylcyclopropyl)amino]propyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylcyclopropyl)amino]propyl]phenol is sourced from PubChem (CID 62398897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).