N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

C20H28ClNO2 — CID 17208880

IUPACN-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-17(2)22-13-7-12-21-15-19-10-6-11-20(14-19)23-16-18-8-4-3-5-9-18;/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3;1H
InChIKeyZPTDZWXMBYCYNF-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.59
Rot. Bonds10

About N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 17208880) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID17208880
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC NameN-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-17(2)22-13-7-12-21-15-19-10-6-11-20(14-19)23-16-18-8-4-3-5-9-18;/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3;1H
InChIKeyZPTDZWXMBYCYNF-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209158
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17055087
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209150
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 17208880) is N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is CC(C)OCCCNCc1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is ZPTDZWXMBYCYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-17(2)22-13-7-12-21-15-19-10-6-11-20(14-19)23-16-18-8-4-3-5-9-18;/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3;1H.
What are the key properties of N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17208880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).