N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

C16H24ClNO2 — CID 114825161

IUPACN-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Cl)C1COC(C)C1
InChIInChI=1S/C16H24ClNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-6-5-13(19-3)9-15(14)17/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3
InChIKeyRHOZKGHKDBJBIE-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114825161) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114825161
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Cl)C1COC(C)C1
InChIInChI=1S/C16H24ClNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-6-5-13(19-3)9-15(14)17/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3
InChIKeyRHOZKGHKDBJBIE-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825145
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018423
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851784
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 114825161) is N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1Cl)C1COC(C)C1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is RHOZKGHKDBJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-6-5-13(19-3)9-15(14)17/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114825161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).