N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

C16H25N3O2 — CID 61453286

IUPACN-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccccc1CN)C1CC1
InChIInChI=1S/C16H25N3O2/c1-21-11-10-19(14-6-7-14)9-8-16(20)18-15-5-3-2-4-13(15)12-17/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyRWOAOBAQFFGXJF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds9

About N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (PubChem CID 61453286) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
PubChem CID61453286
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccccc1CN)C1CC1
InChIInChI=1S/C16H25N3O2/c1-21-11-10-19(14-6-7-14)9-8-16(20)18-15-5-3-2-4-13(15)12-17/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyRWOAOBAQFFGXJF-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-[2-(aminomethyl)phenyl]-3-(3-methoxypropylsulfinyl)propanamide
CID 81332822
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43270414
N-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61453245
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099208
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (CID 61453286) is N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is COCCN(CCC(=O)Nc1ccccc1CN)C1CC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The InChIKey is RWOAOBAQFFGXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-11-10-19(14-6-7-14)9-8-16(20)18-15-5-3-2-4-13(15)12-17/h2-5,14H,6-12,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 61453286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).