N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine

C12H16ClNO — CID 62671091

IUPACN-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
SMILESCc1ccc(OCCNC2CC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-2-5-12(11(13)8-9)15-7-6-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyROQQJWWQVFUMBR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine

N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine (PubChem CID 62671091) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
PubChem CID62671091
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
SMILESCc1ccc(OCCNC2CC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-2-5-12(11(13)8-9)15-7-6-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyROQQJWWQVFUMBR-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.78
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-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
CID 62598188
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
N-[2-(2-chloro-4-nitrophenoxy)ethyl]cyclopropanamine
CID 29015244
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine (CID 62671091) is N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine is Cc1ccc(OCCNC2CC2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine?
The InChIKey is ROQQJWWQVFUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-2-5-12(11(13)8-9)15-7-6-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3.
What are the key properties of N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine?
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine has a molecular weight of 225.72 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62671091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).