3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine

C14H22ClNO — CID 159939269

IUPAC3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine
SMILESCCc1cccc(C(Cl)(CCN)OC)c1CC
InChIInChI=1S/C14H22ClNO/c1-4-11-7-6-8-13(12(11)5-2)14(15,17-3)9-10-16/h6-8H,4-5,9-10,16H2,1-3H3
InChIKeyDCOKXCIKBYSEPD-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.20
Rot. Bonds6

About 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine

3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine (PubChem CID 159939269) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine
PubChem CID159939269
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine
SMILESCCc1cccc(C(Cl)(CCN)OC)c1CC
InChIInChI=1S/C14H22ClNO/c1-4-11-7-6-8-13(12(11)5-2)14(15,17-3)9-10-16/h6-8H,4-5,9-10,16H2,1-3H3
InChIKeyDCOKXCIKBYSEPD-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropentan-3-yl)-2,3-diethylbenzene
CID 140983253
1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
CID 19809738
3-(2,3-diethylphenyl)pentan-3-ylazanium bromide
CID 23296859
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
2-(aminomethyl)-3-ethylphenol
CID 21467751
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
3-methoxy-3-(2-methylphenyl)butan-1-amine
CID 105447487
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
CID 142833318
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine?
The IUPAC name of 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine (CID 159939269) is 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine?
The canonical SMILES for 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine is CCc1cccc(C(Cl)(CCN)OC)c1CC.
What is the InChIKey of 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine?
The InChIKey is DCOKXCIKBYSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-11-7-6-8-13(12(11)5-2)14(15,17-3)9-10-16/h6-8H,4-5,9-10,16H2,1-3H3.
What are the key properties of 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine?
3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(2,3-diethylphenyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 159939269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).