2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine

C13H19NO — CID 62936608

IUPAC2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
SMILESCC1CC1NCCCOc1ccccc1
InChIInChI=1S/C13H19NO/c1-11-10-13(11)14-8-5-9-15-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3
InChIKeyKNCWKMLFDAIQKP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds6

About 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine

2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine (PubChem CID 62936608) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
PubChem CID62936608
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
SMILESCC1CC1NCCCOc1ccccc1
InChIInChI=1S/C13H19NO/c1-11-10-13(11)14-8-5-9-15-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3
InChIKeyKNCWKMLFDAIQKP-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
CID 62380034
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine (CID 62936608) is 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine is CC1CC1NCCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine?
The InChIKey is KNCWKMLFDAIQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-13(11)14-8-5-9-15-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3.
What are the key properties of 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine?
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine is sourced from PubChem (CID 62936608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).