N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 62712637

IUPACN-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-7-5-13(6-8-15)16-9-14(16)11-17-10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyYRVKCFCOQRLETO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds7

About N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62712637) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62712637
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-7-5-13(6-8-15)16-9-14(16)11-17-10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyYRVKCFCOQRLETO-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62713530
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713176
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62712637) is N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CCOc1ccc(C2CC2CNCC(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YRVKCFCOQRLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-15-7-5-13(6-8-15)16-9-14(16)11-17-10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62712637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).