N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine

C18H27NO — CID 114619845

IUPACN-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2C=CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H27NO/c1-14(2)12-19-13-16-11-15(3)9-10-18(16)20-17-7-5-4-6-8-17/h5,7,9-11,14,17,19H,4,6,8,12-13H2,1-3H3
InChIKeyJHEIRHWAFJYBJW-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.23
Rot. Bonds6

About N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine

N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114619845) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114619845
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2C=CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H27NO/c1-14(2)12-19-13-16-11-15(3)9-10-18(16)20-17-7-5-4-6-8-17/h5,7,9-11,14,17,19H,4,6,8,12-13H2,1-3H3
InChIKeyJHEIRHWAFJYBJW-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 114619807
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 68855286
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine (CID 114619845) is N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine is Cc1ccc(OC2C=CCCC2)c(CNCC(C)C)c1.
What is the InChIKey of N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is JHEIRHWAFJYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)12-19-13-16-11-15(3)9-10-18(16)20-17-7-5-4-6-8-17/h5,7,9-11,14,17,19H,4,6,8,12-13H2,1-3H3.
What are the key properties of N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114619845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).