3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine

C14H22ClNO2 — CID 117432464

IUPAC3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCc1c(C(C)CCN)cc(Cl)c(OC)c1OC
InChIInChI=1S/C14H22ClNO2/c1-5-10-11(9(2)6-7-16)8-12(15)14(18-4)13(10)17-3/h8-9H,5-7,16H2,1-4H3
InChIKeyZXAAEPGELWMVNT-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.37
Rot. Bonds6

About 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine

3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine (PubChem CID 117432464) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
PubChem CID117432464
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCc1c(C(C)CCN)cc(Cl)c(OC)c1OC
InChIInChI=1S/C14H22ClNO2/c1-5-10-11(9(2)6-7-16)8-12(15)14(18-4)13(10)17-3/h8-9H,5-7,16H2,1-4H3
InChIKeyZXAAEPGELWMVNT-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
4-(4-aminobutan-2-yl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 117432338
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(2-chloro-3-methoxy-4-methylphenyl)butan-1-amine
CID 117328027
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117392432
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117403658

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine (CID 117432464) is 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine is CCc1c(C(C)CCN)cc(Cl)c(OC)c1OC.
What is the InChIKey of 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The InChIKey is ZXAAEPGELWMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-10-11(9(2)6-7-16)8-12(15)14(18-4)13(10)17-3/h8-9H,5-7,16H2,1-4H3.
What are the key properties of 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117432464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).