3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine

C18H29NO2 — CID 62571085

IUPAC3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
SMILESCCCOc1ccccc1OCCNC1CCCC(C)C1
InChIInChI=1S/C18H29NO2/c1-3-12-20-17-9-4-5-10-18(17)21-13-11-19-16-8-6-7-15(2)14-16/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3
InChIKeyPNNLVFPTWVHDOI-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.02
Rot. Bonds8

About 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine (PubChem CID 62571085) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
PubChem CID62571085
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
SMILESCCCOc1ccccc1OCCNC1CCCC(C)C1
InChIInChI=1S/C18H29NO2/c1-3-12-20-17-9-4-5-10-18(17)21-13-11-19-16-8-6-7-15(2)14-16/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3
InChIKeyPNNLVFPTWVHDOI-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
CID 104658787
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 79407747
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine (CID 62571085) is 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine is CCCOc1ccccc1OCCNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is PNNLVFPTWVHDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-20-17-9-4-5-10-18(17)21-13-11-19-16-8-6-7-15(2)14-16/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62571085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).