[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol

C15H21NO — CID 113383710

IUPAC[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
SMILESNCC1(C(O)c2ccccc2)CC2CCC1C2
InChIInChI=1S/C15H21NO/c16-10-15(9-11-6-7-13(15)8-11)14(17)12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10,16H2
InChIKeyMUTBMOSSWJEFHX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds3

About [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol (PubChem CID 113383710) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
PubChem CID113383710
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
SMILESNCC1(C(O)c2ccccc2)CC2CCC1C2
InChIInChI=1S/C15H21NO/c16-10-15(9-11-6-7-13(15)8-11)14(17)12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10,16H2
InChIKeyMUTBMOSSWJEFHX-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 113383719
(2-phenyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 117194213
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
CID 116503452
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130706865
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
2-[(3-bromophenyl)-hydroxymethyl]bicyclo[2.2.1]heptane-2-carbonitrile
CID 113383682
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154772117
(1S,2S,4S)-N-(2-amino-2-oxoethyl)-2-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 98773407

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol?
The IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol (CID 113383710) is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol.
What is the SMILES notation for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol?
The canonical SMILES for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol is NCC1(C(O)c2ccccc2)CC2CCC1C2.
What is the InChIKey of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol?
The InChIKey is MUTBMOSSWJEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-10-15(9-11-6-7-13(15)8-11)14(17)12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10,16H2.
What are the key properties of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol?
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol has a molecular weight of 231.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol is sourced from PubChem (CID 113383710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).