1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine

C14H20ClNO — CID 62911548

IUPAC1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-3-16-10(2)12-6-7-14(13(15)8-12)17-9-11-4-5-11/h6-8,10-11,16H,3-5,9H2,1-2H3
InChIKeyQGAKEHXQJBABMO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.80
Rot. Bonds6

About 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine

1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 62911548) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
PubChem CID62911548
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-3-16-10(2)12-6-7-14(13(15)8-12)17-9-11-4-5-11/h6-8,10-11,16H,3-5,9H2,1-2H3
InChIKeyQGAKEHXQJBABMO-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
3-[3-chloro-4-(cyclopropylmethoxy)phenyl]butanal
CID 117384856
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
1-[3-chloro-4-(4,4,4-trifluorobutoxy)phenyl]-N-ethylethanamine
CID 82790108

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine (CID 62911548) is 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCC2CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is QGAKEHXQJBABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16-10(2)12-6-7-14(13(15)8-12)17-9-11-4-5-11/h6-8,10-11,16H,3-5,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine?
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62911548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).