N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine

C15H21NO — CID 61312376

IUPACN-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO/c1-2-17-12-6-11-16-15(14-9-10-14)13-7-4-3-5-8-13/h2-5,7-8,14-16H,1,6,9-12H2
InChIKeyPHZLEETUGXDZGH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.28
Rot. Bonds8

About N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine

N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine (PubChem CID 61312376) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
PubChem CID61312376
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO/c1-2-17-12-6-11-16-15(14-9-10-14)13-7-4-3-5-8-13/h2-5,7-8,14-16H,1,6,9-12H2
InChIKeyPHZLEETUGXDZGH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
CID 43100461
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
2-[3-[[cyclopropyl(phenyl)methyl]amino]propyl]isoindole-1,3-dione
CID 112809038
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine (CID 61312376) is N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine is C=COCCCNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The InChIKey is PHZLEETUGXDZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-17-12-6-11-16-15(14-9-10-14)13-7-4-3-5-8-13/h2-5,7-8,14-16H,1,6,9-12H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 61312376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).