3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide

C14H19BrN2O2 — CID 78977857

IUPAC3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
SMILESCOc1ccc(CNCCC(=O)NC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-2-10(8-12(13)15)9-16-7-6-14(18)17-11-3-4-11/h2,5,8,11,16H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyQKUOUYNQKUKSKB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.22
Rot. Bonds7

About 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide

3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide (PubChem CID 78977857) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
PubChem CID78977857
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
SMILESCOc1ccc(CNCCC(=O)NC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-2-10(8-12(13)15)9-16-7-6-14(18)17-11-3-4-11/h2,5,8,11,16H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyQKUOUYNQKUKSKB-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684722
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78978873
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 63062862
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide (CID 78977857) is 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide is COc1ccc(CNCCC(=O)NC2CC2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is QKUOUYNQKUKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-13-5-2-10(8-12(13)15)9-16-7-6-14(18)17-11-3-4-11/h2,5,8,11,16H,3-4,6-7,9H2,1H3,(H,17,18).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide?
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 327.22 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 78977857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).