1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C14H20ClNO — CID 113362149

IUPAC1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)CC1CCOC1
InChIInChI=1S/C14H20ClNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3
InChIKeyDYHSRYQBGDQMKM-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 113362149) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID113362149
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)CC1CCOC1
InChIInChI=1S/C14H20ClNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3
InChIKeyDYHSRYQBGDQMKM-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 113362149) is 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1cccc(Cl)c1)CC1CCOC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is DYHSRYQBGDQMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 113362149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).