N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine

C14H20ClNO — CID 65125135

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCOCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-11(13-4-5-13)16-8-9-17-10-12-2-6-14(15)7-3-12/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3
InChIKeyKHMWZZDKLYHTSI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine (PubChem CID 65125135) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
PubChem CID65125135
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCOCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-11(13-4-5-13)16-8-9-17-10-12-2-6-14(15)7-3-12/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3
InChIKeyKHMWZZDKLYHTSI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylbutan-2-amine
CID 65125377
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
CID 65125865

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine (CID 65125135) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine is CC(NCCOCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine?
The InChIKey is KHMWZZDKLYHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(13-4-5-13)16-8-9-17-10-12-2-6-14(15)7-3-12/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 65125135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).