(2,6-dipropylphenyl)methanamine;hydrochloride

C13H22ClN — CID 19835692

IUPAC(2,6-dipropylphenyl)methanamine;hydrochloride
SMILESCCCc1cccc(CCC)c1CN.Cl
InChIInChI=1S/C13H21N.ClH/c1-3-6-11-8-5-9-12(7-4-2)13(11)10-14;/h5,8-9H,3-4,6-7,10,14H2,1-2H3;1H
InChIKeyOTRFMXSSACXXCJ-UHFFFAOYSA-N
MW227.78 g/mol
LogP3.47
Rot. Bonds5

About (2,6-dipropylphenyl)methanamine;hydrochloride

(2,6-dipropylphenyl)methanamine;hydrochloride (PubChem CID 19835692) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is (2,6-dipropylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-dipropylphenyl)methanamine;hydrochloride
PubChem CID19835692
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name(2,6-dipropylphenyl)methanamine;hydrochloride
SMILESCCCc1cccc(CCC)c1CN.Cl
InChIInChI=1S/C13H21N.ClH/c1-3-6-11-8-5-9-12(7-4-2)13(11)10-14;/h5,8-9H,3-4,6-7,10,14H2,1-2H3;1H
InChIKeyOTRFMXSSACXXCJ-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dipropylphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-dipropylphenyl)methanamine;hydrochloride (CID 19835692) is (2,6-dipropylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-dipropylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-dipropylphenyl)methanamine;hydrochloride is CCCc1cccc(CCC)c1CN.Cl.
What is the InChIKey of (2,6-dipropylphenyl)methanamine;hydrochloride?
The InChIKey is OTRFMXSSACXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-3-6-11-8-5-9-12(7-4-2)13(11)10-14;/h5,8-9H,3-4,6-7,10,14H2,1-2H3;1H.
What are the key properties of (2,6-dipropylphenyl)methanamine;hydrochloride?
(2,6-dipropylphenyl)methanamine;hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dipropylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19835692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).