[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol

C15H21NO — CID 79137895

IUPAC[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol
SMILESNCC1(C(O)C2CC2)CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c16-10-15(14(17)12-5-6-12)8-7-11-3-1-2-4-13(11)9-15/h1-4,12,14,17H,5-10,16H2
InChIKeyNWTWXHQZKRECHE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.89
Rot. Bonds3

About [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol

[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol (PubChem CID 79137895) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol
PubChem CID79137895
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol
SMILESNCC1(C(O)C2CC2)CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c16-10-15(14(17)12-5-6-12)8-7-11-3-1-2-4-13(11)9-15/h1-4,12,14,17H,5-10,16H2
InChIKeyNWTWXHQZKRECHE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol?
The IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol (CID 79137895) is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol.
What is the SMILES notation for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol?
The canonical SMILES for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol is NCC1(C(O)C2CC2)CCc2ccccc2C1.
What is the InChIKey of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol?
The InChIKey is NWTWXHQZKRECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-10-15(14(17)12-5-6-12)8-7-11-3-1-2-4-13(11)9-15/h1-4,12,14,17H,5-10,16H2.
What are the key properties of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol?
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol has a molecular weight of 231.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol is sourced from PubChem (CID 79137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).