2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine

C18H29NO — CID 63401544

IUPAC2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCCOc2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13,19H2,1-2H3
InChIKeyNBCLQVMFOKWISJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds6

About 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine

2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401544) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401544
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCCOc2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13,19H2,1-2H3
InChIKeyNBCLQVMFOKWISJ-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
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

3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
CID 81010417
2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63191907
2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704274
bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
CID 53327852
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
2-(3-phenoxypropyl)oxirane
CID 23468414
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62739877

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine (CID 63401544) is 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CCCOc2ccccc2)C1.
What is the InChIKey of 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is NBCLQVMFOKWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13,19H2,1-2H3.
What are the key properties of 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine?
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).