N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine

C16H25NO — CID 66242807

IUPACN-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCCOc1ccc(C(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-9-5-13(6-10-15)16(12(2)3)11-17-14-7-8-14/h5-6,9-10,12,14,16-17H,4,7-8,11H2,1-3H3
InChIKeyDGNXMQHCZBBGDN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 66242807) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID66242807
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCCOc1ccc(C(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-9-5-13(6-10-15)16(12(2)3)11-17-14-7-8-14/h5-6,9-10,12,14,16-17H,4,7-8,11H2,1-3H3
InChIKeyDGNXMQHCZBBGDN-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 66242807) is N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine is CCOc1ccc(C(CNC2CC2)C(C)C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is DGNXMQHCZBBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-15-9-5-13(6-10-15)16(12(2)3)11-17-14-7-8-14/h5-6,9-10,12,14,16-17H,4,7-8,11H2,1-3H3.
What are the key properties of N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 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)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 66242807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).