(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride

C11H18Cl2N2O — CID 171211107

IUPAC(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
SMILESCOc1cc([C@H](N)CCCN)ccc1Cl.Cl
InChIInChI=1S/C11H17ClN2O.ClH/c1-15-11-7-8(4-5-9(11)12)10(14)3-2-6-13;/h4-5,7,10H,2-3,6,13-14H2,1H3;1H/t10-;/m1./s1
InChIKeyKRWDCLZWCRYHFM-HNCPQSOCSA-N
MW265.18 g/mol
LogP2.51
Rot. Bonds5

About (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride

(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171211107) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
PubChem CID171211107
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
SMILESCOc1cc([C@H](N)CCCN)ccc1Cl.Cl
InChIInChI=1S/C11H17ClN2O.ClH/c1-15-11-7-8(4-5-9(11)12)10(14)3-2-6-13;/h4-5,7,10H,2-3,6,13-14H2,1H3;1H/t10-;/m1./s1
InChIKeyKRWDCLZWCRYHFM-HNCPQSOCSA-N
XLogP2.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
(3S)-3-amino-3-(4-chloro-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260112
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171202987

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride (CID 171211107) is (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride is COc1cc([C@H](N)CCCN)ccc1Cl.Cl.
What is the InChIKey of (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is KRWDCLZWCRYHFM-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17ClN2O.ClH/c1-15-11-7-8(4-5-9(11)12)10(14)3-2-6-13;/h4-5,7,10H,2-3,6,13-14H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 265.18 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171211107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).