4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine

C16H25NO — CID 79977194

IUPAC4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cccc(C2CC2)c1
InChIInChI=1S/C16H25NO/c1-18-12-11-17-10-3-2-5-14-6-4-7-16(13-14)15-8-9-15/h4,6-7,13,15,17H,2-3,5,8-12H2,1H3
InChIKeyYSRAVDSZTSAVEM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds9

About 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine

4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79977194) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID79977194
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cccc(C2CC2)c1
InChIInChI=1S/C16H25NO/c1-18-12-11-17-10-3-2-5-14-6-4-7-16(13-14)15-8-9-15/h4,6-7,13,15,17H,2-3,5,8-12H2,1H3
InChIKeyYSRAVDSZTSAVEM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 79976953
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine (CID 79977194) is 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cccc(C2CC2)c1.
What is the InChIKey of 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is YSRAVDSZTSAVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-12-11-17-10-3-2-5-14-6-4-7-16(13-14)15-8-9-15/h4,6-7,13,15,17H,2-3,5,8-12H2,1H3.
What are the key properties of 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine?
4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79977194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).