N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine

C17H27NO2 — CID 60934945

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
SMILESCOCCOc1cc(C)ccc1NC1CCCCCC1
InChIInChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)20-12-11-19-2)18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyRHXAPVXYUXXBFQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine

N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine (PubChem CID 60934945) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
PubChem CID60934945
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
SMILESCOCCOc1cc(C)ccc1NC1CCCCCC1
InChIInChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)20-12-11-19-2)18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyRHXAPVXYUXXBFQ-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.15
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-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
CID 102671001
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364385
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine (CID 60934945) is N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine is COCCOc1cc(C)ccc1NC1CCCCCC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine?
The InChIKey is RHXAPVXYUXXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)20-12-11-19-2)18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine?
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine has a molecular weight of 277.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine is sourced from PubChem (CID 60934945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).