(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride

C19H27ClN2O2 — CID 171212979

IUPAC(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCCCN)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-22-18-11-10-16(17(21)9-5-6-12-20)13-19(18)23-14-15-7-3-2-4-8-15;/h2-4,7-8,10-11,13,17H,5-6,9,12,14,20-21H2,1H3;1H/t17-;/m1./s1
InChIKeyPQDJMAJOBQLPKZ-UNTBIKODSA-N
MW350.89 g/mol
LogP3.82
Rot. Bonds9

About (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171212979) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
PubChem CID171212979
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCCCN)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-22-18-11-10-16(17(21)9-5-6-12-20)13-19(18)23-14-15-7-3-2-4-8-15;/h2-4,7-8,10-11,13,17H,5-6,9,12,14,20-21H2,1H3;1H/t17-;/m1./s1
InChIKeyPQDJMAJOBQLPKZ-UNTBIKODSA-N
XLogP3.82
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride (CID 171212979) is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride is COc1ccc([C@H](N)CCCCN)cc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is PQDJMAJOBQLPKZ-UNTBIKODSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-22-18-11-10-16(17(21)9-5-6-12-20)13-19(18)23-14-15-7-3-2-4-8-15;/h2-4,7-8,10-11,13,17H,5-6,9,12,14,20-21H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171212979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).