2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol

C12H17NO — CID 117116056

IUPAC2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
SMILESNC1(Cc2ccc(CCO)cc2)CC1
InChIInChI=1S/C12H17NO/c13-12(6-7-12)9-11-3-1-10(2-4-11)5-8-14/h1-4,14H,5-9,13H2
InChIKeyZCDWVMZJSZJGCJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.26
Rot. Bonds4

About 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol

2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol (PubChem CID 117116056) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
PubChem CID117116056
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
SMILESNC1(Cc2ccc(CCO)cc2)CC1
InChIInChI=1S/C12H17NO/c13-12(6-7-12)9-11-3-1-10(2-4-11)5-8-14/h1-4,14H,5-9,13H2
InChIKeyZCDWVMZJSZJGCJ-UHFFFAOYSA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
CID 67025850
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
CID 105445343
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide
CID 115056245
1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
CID 117116075
2-[4-[(1-propylcyclopentyl)methyl]phenyl]ethanol
CID 70834822
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 117310114

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol (CID 117116056) is 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol is NC1(Cc2ccc(CCO)cc2)CC1.
What is the InChIKey of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol?
The InChIKey is ZCDWVMZJSZJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(6-7-12)9-11-3-1-10(2-4-11)5-8-14/h1-4,14H,5-9,13H2.
What are the key properties of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol?
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol is sourced from PubChem (CID 117116056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).