N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine

C23H23NO — CID 172875831

IUPACN-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine
SMILESCNC1(c2cccc(-c3ccccc3OCc3ccccc3)c2)CC1
InChIInChI=1S/C23H23NO/c1-24-23(14-15-23)20-11-7-10-19(16-20)21-12-5-6-13-22(21)25-17-18-8-3-2-4-9-18/h2-13,16,24H,14-15,17H2,1H3
InChIKeyXKYKUXNHCOTDEO-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.14
Rot. Bonds6

About N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine

N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine (PubChem CID 172875831) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine
PubChem CID172875831
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine
SMILESCNC1(c2cccc(-c3ccccc3OCc3ccccc3)c2)CC1
InChIInChI=1S/C23H23NO/c1-24-23(14-15-23)20-11-7-10-19(16-20)21-12-5-6-13-22(21)25-17-18-8-3-2-4-9-18/h2-13,16,24H,14-15,17H2,1H3
InChIKeyXKYKUXNHCOTDEO-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 172875844
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875891
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide
CID 10095630
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine (CID 172875831) is N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine is CNC1(c2cccc(-c3ccccc3OCc3ccccc3)c2)CC1.
What is the InChIKey of N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine?
The InChIKey is XKYKUXNHCOTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-24-23(14-15-23)20-11-7-10-19(16-20)21-12-5-6-13-22(21)25-17-18-8-3-2-4-9-18/h2-13,16,24H,14-15,17H2,1H3.
What are the key properties of N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine?
N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 172875831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).