2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine

C17H18F2N2O — CID 71463358

IUPAC2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
SMILESNCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
InChIInChI=1S/C17H18F2N2O/c18-12-5-14(13-7-16(13)21)17(15(19)6-12)22-9-11-3-1-2-10(4-11)8-20/h1-6,13,16H,7-9,20-21H2
InChIKeyJAJWOEGKIRBGFM-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine

2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine (PubChem CID 71463358) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
PubChem CID71463358
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
SMILESNCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
InChIInChI=1S/C17H18F2N2O/c18-12-5-14(13-7-16(13)21)17(15(19)6-12)22-9-11-3-1-2-10(4-11)8-20/h1-6,13,16H,7-9,20-21H2
InChIKeyJAJWOEGKIRBGFM-UHFFFAOYSA-N
XLogP2.82
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
CID 137401937
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
CID 137401925
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)-N-(1H-indol-7-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 142514226
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
CID 142514182
2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 142514214
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The IUPAC name of 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine (CID 71463358) is 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine is NCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1.
What is the InChIKey of 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The InChIKey is JAJWOEGKIRBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-12-5-14(13-7-16(13)21)17(15(19)6-12)22-9-11-3-1-2-10(4-11)8-20/h1-6,13,16H,7-9,20-21H2.
What are the key properties of 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine has a molecular weight of 304.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine is sourced from PubChem (CID 71463358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).