N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine

C15H21NO — CID 114519282

IUPACN-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CC1
InChIInChI=1S/C15H21NO/c1-2-16-15(11-3-4-11)12-5-7-13(8-6-12)17-14-9-10-14/h5-8,11,14-16H,2-4,9-10H2,1H3
InChIKeyHHWJSIWCHQPLFO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.29
Rot. Bonds6

About N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine

N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine (PubChem CID 114519282) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
PubChem CID114519282
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CC1
InChIInChI=1S/C15H21NO/c1-2-16-15(11-3-4-11)12-5-7-13(8-6-12)17-14-9-10-14/h5-8,11,14-16H,2-4,9-10H2,1H3
InChIKeyHHWJSIWCHQPLFO-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine (CID 114519282) is N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine?
The InChIKey is HHWJSIWCHQPLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-16-15(11-3-4-11)12-5-7-13(8-6-12)17-14-9-10-14/h5-8,11,14-16H,2-4,9-10H2,1H3.
What are the key properties of N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine?
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114519282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).