N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide

C14H19BrN2O — CID 115271382

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
SMILESNCC1(CNC(=O)CCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18)
InChIKeyOWFOPBXBUCDJRN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.24
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide (PubChem CID 115271382) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
PubChem CID115271382
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
SMILESNCC1(CNC(=O)CCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18)
InChIKeyOWFOPBXBUCDJRN-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449320
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
3-(3-bromophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111597105
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
4-[[3-(3-bromophenyl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120543231
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
CID 67395688

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide (CID 115271382) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide is NCC1(CNC(=O)CCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide?
The InChIKey is OWFOPBXBUCDJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide has a molecular weight of 311.22 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 115271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).