5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride

C19H32Cl3N — CID 173407420

IUPAC5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride
SMILESCCCCc1c(Cl)ccc(C(N)(CCCC)CCCC)c1Cl.Cl
InChIInChI=1S/C19H31Cl2N.ClH/c1-4-7-10-15-17(20)12-11-16(18(15)21)19(22,13-8-5-2)14-9-6-3;/h11-12H,4-10,13-14,22H2,1-3H3;1H
InChIKeyWBKLPWAWDKXVGM-UHFFFAOYSA-N
MW380.83 g/mol
LogP7.29
Rot. Bonds10

About 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride

5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride (PubChem CID 173407420) has the molecular formula C19H32Cl3N and a molecular weight of 380.83 g/mol. Its IUPAC name is 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride.

Molecular Properties

Compound Name5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride
PubChem CID173407420
Molecular FormulaC19H32Cl3N
Molecular Weight380.83 g/mol
Exact Mass379.16
IUPAC Name5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride
SMILESCCCCc1c(Cl)ccc(C(N)(CCCC)CCCC)c1Cl.Cl
InChIInChI=1S/C19H31Cl2N.ClH/c1-4-7-10-15-17(20)12-11-16(18(15)21)19(22,13-8-5-2)14-9-6-3;/h11-12H,4-10,13-14,22H2,1-3H3;1H
InChIKeyWBKLPWAWDKXVGM-UHFFFAOYSA-N
XLogP7.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride?
The IUPAC name of 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride (CID 173407420) is 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride.
What is the SMILES notation for 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride?
The canonical SMILES for 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride is CCCCc1c(Cl)ccc(C(N)(CCCC)CCCC)c1Cl.Cl.
What is the InChIKey of 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride?
The InChIKey is WBKLPWAWDKXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Cl2N.ClH/c1-4-7-10-15-17(20)12-11-16(18(15)21)19(22,13-8-5-2)14-9-6-3;/h11-12H,4-10,13-14,22H2,1-3H3;1H.
What are the key properties of 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride?
5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride has a molecular weight of 380.83 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butyl-2,4-dichlorophenyl)nonan-5-amine;hydrochloride is sourced from PubChem (CID 173407420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).