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

C18H20ClNO — CID 62458732

IUPACN-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1OC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3
InChIKeyIKXGHWXLWMHEOJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.52
Rot. Bonds6

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

N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 62458732) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
PubChem CID62458732
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1OC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3
InChIKeyIKXGHWXLWMHEOJ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
N-[2-(2-ethylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62485001
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine (CID 62458732) is N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine is Cc1cc(Cl)ccc1OC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is IKXGHWXLWMHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 62458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).