N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline

C16H25NO2 — CID 115916601

IUPACN-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC(C)CC1CC1
InChIInChI=1S/C16H25NO2/c1-12-4-7-15(16(10-12)19-9-8-18-3)17-13(2)11-14-5-6-14/h4,7,10,13-14,17H,5-6,8-9,11H2,1-3H3
InChIKeyLTDHPEIYFAOTQS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.62
Rot. Bonds8

About N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline

N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline (PubChem CID 115916601) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
PubChem CID115916601
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC(C)CC1CC1
InChIInChI=1S/C16H25NO2/c1-12-4-7-15(16(10-12)19-9-8-18-3)17-13(2)11-14-5-6-14/h4,7,10,13-14,17H,5-6,8-9,11H2,1-3H3
InChIKeyLTDHPEIYFAOTQS-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.62
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-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 62535868
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline (CID 115916601) is N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline is COCCOc1cc(C)ccc1NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline?
The InChIKey is LTDHPEIYFAOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-7-15(16(10-12)19-9-8-18-3)17-13(2)11-14-5-6-14/h4,7,10,13-14,17H,5-6,8-9,11H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline?
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline has a molecular weight of 263.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline is sourced from PubChem (CID 115916601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).