N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine

C13H19NO — CID 93040874

IUPACN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCCN[C@H](c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19NO/c1-3-14-13(10-4-5-10)11-6-8-12(15-2)9-7-11/h6-10,13-14H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyIUIIFOPNXBTFBC-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 93040874) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
PubChem CID93040874
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCCN[C@H](c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19NO/c1-3-14-13(10-4-5-10)11-6-8-12(15-2)9-7-11/h6-10,13-14H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyIUIIFOPNXBTFBC-ZDUSSCGKSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine (CID 93040874) is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine is CCN[C@H](c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is IUIIFOPNXBTFBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-13(10-4-5-10)11-6-8-12(15-2)9-7-11/h6-10,13-14H,3-5H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 93040874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).