N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 62673446

IUPACN-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-8-18(17(19)9-13)21-12-15-4-2-3-14(10-15)11-20-16-6-7-16/h2-5,8-10,16,20H,6-7,11-12H2,1H3
InChIKeyUVGFTTHQXNPJKY-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.48
Rot. Bonds6

About N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62673446) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62673446
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-8-18(17(19)9-13)21-12-15-4-2-3-14(10-15)11-20-16-6-7-16/h2-5,8-10,16,20H,6-7,11-12H2,1H3
InChIKeyUVGFTTHQXNPJKY-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79158616

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62673446) is N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is Cc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1.
What is the InChIKey of N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is UVGFTTHQXNPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-5-8-18(17(19)9-13)21-12-15-4-2-3-14(10-15)11-20-16-6-7-16/h2-5,8-10,16,20H,6-7,11-12H2,1H3.
What are the key properties of N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62673446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).