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

C15H23NO — CID 43495185

IUPACN-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-11-16-15(12-5-6-12)13-7-9-14(10-8-13)17-4-2/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyVEWSRXNIRCGNAP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds7

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

N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 43495185) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
PubChem CID43495185
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-11-16-15(12-5-6-12)13-7-9-14(10-8-13)17-4-2/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyVEWSRXNIRCGNAP-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
N-[(4-ethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115387279
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine (CID 43495185) is N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is VEWSRXNIRCGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11-16-15(12-5-6-12)13-7-9-14(10-8-13)17-4-2/h7-10,12,15-16H,3-6,11H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine?
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).