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

C14H20ClNO — CID 79443477

IUPAC2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNCC(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-16-10-12(9-14-6-3-7-17-14)11-4-2-5-13(15)8-11/h2,4-5,8,12,14,16H,3,6-7,9-10H2,1H3
InChIKeyKSUYKUJPLPOVOD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.21
Rot. Bonds5

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

2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 79443477) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID79443477
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNCC(CC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-16-10-12(9-14-6-3-7-17-14)11-4-2-5-13(15)8-11/h2,4-5,8,12,14,16H,3,6-7,9-10H2,1H3
InChIKeyKSUYKUJPLPOVOD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
CID 66147924
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
2-(3-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433944

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 79443477) is 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNCC(CC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is KSUYKUJPLPOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-10-12(9-14-6-3-7-17-14)11-4-2-5-13(15)8-11/h2,4-5,8,12,14,16H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 79443477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).