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

C19H23NO — CID 105350594

IUPACN-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
SMILESCc1ccccc1OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h2-9,18,20H,10-14H2,1H3
InChIKeyJUGRPADHJGYATD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds7

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

N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105350594) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID105350594
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
SMILESCc1ccccc1OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h2-9,18,20H,10-14H2,1H3
InChIKeyJUGRPADHJGYATD-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598409
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
CID 105350970
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine (CID 105350594) is N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine is Cc1ccccc1OCc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is JUGRPADHJGYATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h2-9,18,20H,10-14H2,1H3.
What are the key properties of N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105350594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).