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

C23H24ClNO — CID 172875844

IUPACN-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCNC1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)CC1.Cl
InChIInChI=1S/C23H23NO.ClH/c1-24-23(13-14-23)21-11-5-9-19(15-21)20-10-6-12-22(16-20)25-17-18-7-3-2-4-8-18;/h2-12,15-16,24H,13-14,17H2,1H3;1H
InChIKeyKUPRIFIDYDQJQN-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.56
Rot. Bonds6

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

N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 172875844) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID172875844
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC NameN-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCNC1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)CC1.Cl
InChIInChI=1S/C23H23NO.ClH/c1-24-23(13-14-23)21-11-5-9-19(15-21)20-10-6-12-22(16-20)25-17-18-7-3-2-4-8-18;/h2-12,15-16,24H,13-14,17H2,1H3;1H
InChIKeyKUPRIFIDYDQJQN-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine
CID 172875831
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009
2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole
CID 70791079
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride (CID 172875844) is N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride is CNC1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)CC1.Cl.
What is the InChIKey of N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is KUPRIFIDYDQJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO.ClH/c1-24-23(13-14-23)21-11-5-9-19(15-21)20-10-6-12-22(16-20)25-17-18-7-3-2-4-8-18;/h2-12,15-16,24H,13-14,17H2,1H3;1H.
What are the key properties of N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride?
N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 5.56, 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-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 172875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).