N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 114855013

IUPACN-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C18H20ClNO/c1-2-13-4-3-5-17(10-13)21-18-9-6-15(19)11-14(18)12-20-16-7-8-16/h3-6,9-11,16,20H,2,7-8,12H2,1H3
InChIKeyKNLLQOJYAAVQJX-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.95
Rot. Bonds6

About N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114855013) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID114855013
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C18H20ClNO/c1-2-13-4-3-5-17(10-13)21-18-9-6-15(19)11-14(18)12-20-16-7-8-16/h3-6,9-11,16,20H,2,7-8,12H2,1H3
InChIKeyKNLLQOJYAAVQJX-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
CID 114856939
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856120
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine (CID 114855013) is N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine is CCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is KNLLQOJYAAVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-2-13-4-3-5-17(10-13)21-18-9-6-15(19)11-14(18)12-20-16-7-8-16/h3-6,9-11,16,20H,2,7-8,12H2,1H3.
What are the key properties of N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114855013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).