3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine

C16H25NO2 — CID 43233318

IUPAC3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCOCC2CC2)cc1C
InChIInChI=1S/C16H25NO2/c1-13-10-15(6-7-16(13)18-2)11-17-8-3-9-19-12-14-4-5-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyXSNXFBBEEPPAAW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds9

About 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine (PubChem CID 43233318) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
PubChem CID43233318
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCOCC2CC2)cc1C
InChIInChI=1S/C16H25NO2/c1-13-10-15(6-7-16(13)18-2)11-17-8-3-9-19-12-14-4-5-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyXSNXFBBEEPPAAW-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
1-[3-(cyclopropylmethoxy)propyl]-3-[(4-methoxy-3-methylphenyl)methyl]-2-methylguanidine
CID 111393311
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233320
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine (CID 43233318) is 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine is COc1ccc(CNCCCOCC2CC2)cc1C.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is XSNXFBBEEPPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-10-15(6-7-16(13)18-2)11-17-8-3-9-19-12-14-4-5-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43233318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).