1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine

C16H24ClNO — CID 82834259

IUPAC1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCC1CCC(CNC(c2ccc(Cl)cc2)C(C)C)O1
InChIInChI=1S/C16H24ClNO/c1-11(2)16(13-5-7-14(17)8-6-13)18-10-15-9-4-12(3)19-15/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyWGJJACJMPQPWKU-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.19
Rot. Bonds5

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

1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 82834259) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID82834259
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCC1CCC(CNC(c2ccc(Cl)cc2)C(C)C)O1
InChIInChI=1S/C16H24ClNO/c1-11(2)16(13-5-7-14(17)8-6-13)18-10-15-9-4-12(3)19-15/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyWGJJACJMPQPWKU-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834051
1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637240
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 103138828
4-butan-2-yl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833888
(2R)-2-[(5-methyloxolan-2-yl)methylamino]propan-1-ol
CID 114985738

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 82834259) is 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine is CC1CCC(CNC(c2ccc(Cl)cc2)C(C)C)O1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is WGJJACJMPQPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)16(13-5-7-14(17)8-6-13)18-10-15-9-4-12(3)19-15/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82834259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).