(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide

C14H19BrN2O — CID 119333592

IUPAC(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c1-10(16)13(18)17(2)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,16H2,1-2H3/t10-/m1/s1
InChIKeyFMAJHLFATKXZAK-SNVBAGLBSA-N
MW311.22 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide

(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide (PubChem CID 119333592) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
PubChem CID119333592
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c1-10(16)13(18)17(2)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,16H2,1-2H3/t10-/m1/s1
InChIKeyFMAJHLFATKXZAK-SNVBAGLBSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide (CID 119333592) is (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide is C[C@@H](N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide?
The InChIKey is FMAJHLFATKXZAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(16)13(18)17(2)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide?
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 119333592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).