2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile

C12H14N2O — CID 151276579

IUPAC2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1C(O)c1ccc(CN)cc1
InChIInChI=1S/C12H14N2O/c13-6-8-1-3-9(4-2-8)12(15)11-5-10(11)7-14/h1-4,10-12,15H,5-6,13H2
InChIKeyNXLYMKVKMGFGNZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.34
Rot. Bonds3

About 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile

2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile (PubChem CID 151276579) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile
PubChem CID151276579
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1C(O)c1ccc(CN)cc1
InChIInChI=1S/C12H14N2O/c13-6-8-1-3-9(4-2-8)12(15)11-5-10(11)7-14/h1-4,10-12,15H,5-6,13H2
InChIKeyNXLYMKVKMGFGNZ-UHFFFAOYSA-N
XLogP1.34
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
CID 174775729
[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
CID 115042232
[4-(aminomethyl)phenyl]-(1,1-dioxothian-4-yl)methanol
CID 115050223
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
CID 83856209
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
2-[4-(aminomethyl)phenyl]ethane-1,1,2-triol;azane;sulfuric acid
CID 175160990
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile (CID 151276579) is 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile is N#CC1CC1C(O)c1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is NXLYMKVKMGFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-6-8-1-3-9(4-2-8)12(15)11-5-10(11)7-14/h1-4,10-12,15H,5-6,13H2.
What are the key properties of 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile?
2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 151276579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).