3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide

C19H21BrN2O2 — CID 52918686

IUPAC3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
SMILESNC(=O)CCN[C@@H]1C[C@H]1c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-18(17)22-9-8-19(21)23/h1-7,10,17-18,22H,8-9,11-12H2,(H2,21,23)/t17-,18+/m0/s1
InChIKeyMSNZVLSZWSGCMX-ZWKOTPCHSA-N
MW389.29 g/mol
LogP3.35
Rot. Bonds8

About 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide

3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide (PubChem CID 52918686) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
PubChem CID52918686
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
SMILESNC(=O)CCN[C@@H]1C[C@H]1c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-18(17)22-9-8-19(21)23/h1-7,10,17-18,22H,8-9,11-12H2,(H2,21,23)/t17-,18+/m0/s1
InChIKeyMSNZVLSZWSGCMX-ZWKOTPCHSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide with MolForge

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Related Compounds

2-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67371892
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate
CID 90302009
N',N'-diethyl-N-[(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]ethane-1,2-diamine
CID 51034806
N-[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 89486617
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
N',N'-diethyl-N-[2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]ethane-1,2-diamine;dihydrochloride
CID 89123737
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide
CID 67114740
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide?
The IUPAC name of 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide (CID 52918686) is 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide.
What is the SMILES notation for 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide?
The canonical SMILES for 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide is NC(=O)CCN[C@@H]1C[C@H]1c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide?
The InChIKey is MSNZVLSZWSGCMX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-18(17)22-9-8-19(21)23/h1-7,10,17-18,22H,8-9,11-12H2,(H2,21,23)/t17-,18+/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide?
3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide has a molecular weight of 389.29 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide is sourced from PubChem (CID 52918686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).