1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol

C12H17NO2 — CID 117296074

IUPAC1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol
SMILESNCC1(c2ccc(C(O)CO)cc2)CC1
InChIInChI=1S/C12H17NO2/c13-8-12(5-6-12)10-3-1-9(2-4-10)11(15)7-14/h1-4,11,14-15H,5-8,13H2
InChIKeyVGGQLTVFWAFLKB-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.70
Rot. Bonds4

About 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol (PubChem CID 117296074) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol
PubChem CID117296074
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol
SMILESNCC1(c2ccc(C(O)CO)cc2)CC1
InChIInChI=1S/C12H17NO2/c13-8-12(5-6-12)10-3-1-9(2-4-10)11(15)7-14/h1-4,11,14-15H,5-8,13H2
InChIKeyVGGQLTVFWAFLKB-UHFFFAOYSA-N
XLogP0.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(aminomethyl)cyclobutyl]phenyl]ethane-1,2-diol
CID 117316559
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
1-[4-(1-isocyanatocyclopropyl)phenyl]ethane-1,2-diol
CID 117311993
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
4-[1-(aminomethyl)cyclopropyl]benzonitrile
CID 117276943
1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859
methyl 2-hydroxy-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]acetate
CID 117108668
1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
CID 117279181
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
CID 84609425
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
CID 117115276

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol (CID 117296074) is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol is NCC1(c2ccc(C(O)CO)cc2)CC1.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol?
The InChIKey is VGGQLTVFWAFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-8-12(5-6-12)10-3-1-9(2-4-10)11(15)7-14/h1-4,11,14-15H,5-8,13H2.
What are the key properties of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol?
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol is sourced from PubChem (CID 117296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).