(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride

C17H23ClN2O — CID 171211160

IUPAC(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O.ClH/c18-12-4-7-17(19)15-8-10-16(11-9-15)20-13-14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,18-19H2;1H/t17-;/m1./s1
InChIKeyGVGZOSSECFBMEM-UNTBIKODSA-N
MW306.84 g/mol
LogP3.43
Rot. Bonds7

About (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride

(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171211160) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
PubChem CID171211160
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O.ClH/c18-12-4-7-17(19)15-8-10-16(11-9-15)20-13-14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,18-19H2;1H/t17-;/m1./s1
InChIKeyGVGZOSSECFBMEM-UNTBIKODSA-N
XLogP3.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
(1S)-1-(4-phenylmethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171230797
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride (CID 171211160) is (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is GVGZOSSECFBMEM-UNTBIKODSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c18-12-4-7-17(19)15-8-10-16(11-9-15)20-13-14-5-2-1-3-6-14;/h1-3,5-6,8-11,17H,4,7,12-13,18-19H2;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171211160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).