N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine

C19H29NO — CID 81027435

IUPACN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1ccc(OCCCC2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-10-19(11-3-1)21-14-6-9-16-7-4-5-8-17(16)15-20-18-12-13-18/h1-3,10-11,16-18,20H,4-9,12-15H2
InChIKeyPYWJONJTYHAQKL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.40
Rot. Bonds8

About N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81027435) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81027435
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1ccc(OCCCC2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-10-19(11-3-1)21-14-6-9-16-7-4-5-8-17(16)15-20-18-12-13-18/h1-3,10-11,16-18,20H,4-9,12-15H2
InChIKeyPYWJONJTYHAQKL-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.40
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

N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
CID 57301084
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
2-(3-phenoxypropyl)oxirane
CID 23468414

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine (CID 81027435) is N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine is c1ccc(OCCCC2CCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is PYWJONJTYHAQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-10-19(11-3-1)21-14-6-9-16-7-4-5-8-17(16)15-20-18-12-13-18/h1-3,10-11,16-18,20H,4-9,12-15H2.
What are the key properties of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81027435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).