N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

C16H25NO2 — CID 115785515

IUPACN-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-4-9-17-15(16-12(2)8-10-19-16)13-6-5-7-14(11-13)18-3/h5-7,11-12,15-17H,4,8-10H2,1-3H3
InChIKeyTXQPGDPZJCICEQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 115785515) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID115785515
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-4-9-17-15(16-12(2)8-10-19-16)13-6-5-7-14(11-13)18-3/h5-7,11-12,15-17H,4,8-10H2,1-3H3
InChIKeyTXQPGDPZJCICEQ-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 115785515) is N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)C1OCCC1C.
What is the InChIKey of N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is TXQPGDPZJCICEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-9-17-15(16-12(2)8-10-19-16)13-6-5-7-14(11-13)18-3/h5-7,11-12,15-17H,4,8-10H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115785515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).