[1-(3-phenoxypropyl)cyclopropyl]methanamine

C13H19NO — CID 66026187

IUPAC[1-(3-phenoxypropyl)cyclopropyl]methanamine
SMILESNCC1(CCCOc2ccccc2)CC1
InChIInChI=1S/C13H19NO/c14-11-13(8-9-13)7-4-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeyXUQODIOVXNAMJQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.58
Rot. Bonds6

About [1-(3-phenoxypropyl)cyclopropyl]methanamine

[1-(3-phenoxypropyl)cyclopropyl]methanamine (PubChem CID 66026187) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-(3-phenoxypropyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-phenoxypropyl)cyclopropyl]methanamine
PubChem CID66026187
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-(3-phenoxypropyl)cyclopropyl]methanamine
SMILESNCC1(CCCOc2ccccc2)CC1
InChIInChI=1S/C13H19NO/c14-11-13(8-9-13)7-4-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeyXUQODIOVXNAMJQ-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 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 ≤ 52.58
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

[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
CID 84779704
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
[1-[2-(2-methoxyphenoxy)ethyl]cyclopropyl]methanamine
CID 66026414
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenoxypropyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-phenoxypropyl)cyclopropyl]methanamine (CID 66026187) is [1-(3-phenoxypropyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-phenoxypropyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-phenoxypropyl)cyclopropyl]methanamine is NCC1(CCCOc2ccccc2)CC1.
What is the InChIKey of [1-(3-phenoxypropyl)cyclopropyl]methanamine?
The InChIKey is XUQODIOVXNAMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-11-13(8-9-13)7-4-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2.
What are the key properties of [1-(3-phenoxypropyl)cyclopropyl]methanamine?
[1-(3-phenoxypropyl)cyclopropyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenoxypropyl)cyclopropyl]methanamine is sourced from PubChem (CID 66026187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).