(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine

C19H26N2O3 — CID 171214322

IUPAC(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCCN)cc1OC
InChIInChI=1S/C19H26N2O3/c1-22-18-11-15(16(21)9-6-10-20)17(12-19(18)23-2)24-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,16H,6,9-10,13,20-21H2,1-2H3/t16-/m1/s1
InChIKeyBKZGCYMTMIMLEZ-MRXNPFEDSA-N
MW330.43 g/mol
LogP3.02
Rot. Bonds9

About (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine (PubChem CID 171214322) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
PubChem CID171214322
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCCN)cc1OC
InChIInChI=1S/C19H26N2O3/c1-22-18-11-15(16(21)9-6-10-20)17(12-19(18)23-2)24-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,16H,6,9-10,13,20-21H2,1-2H3/t16-/m1/s1
InChIKeyBKZGCYMTMIMLEZ-MRXNPFEDSA-N
XLogP3.02
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
CID 171260650
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine (CID 171214322) is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine is COc1cc(OCc2ccccc2)c([C@H](N)CCCN)cc1OC.
What is the InChIKey of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine?
The InChIKey is BKZGCYMTMIMLEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-22-18-11-15(16(21)9-6-10-20)17(12-19(18)23-2)24-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,16H,6,9-10,13,20-21H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine?
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine has a molecular weight of 330.43 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 171214322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).