(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine

C14H21NO — CID 155370336

IUPAC(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)cc1OCC1CC1C
InChIInChI=1S/C14H21NO/c1-9-4-5-12(11(3)15)7-14(9)16-8-13-6-10(13)2/h4-5,7,10-11,13H,6,8,15H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyKSLDRCCBVHJVTR-AKJDGMEZSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds4

About (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine

(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine (PubChem CID 155370336) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine
PubChem CID155370336
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)cc1OCC1CC1C
InChIInChI=1S/C14H21NO/c1-9-4-5-12(11(3)15)7-14(9)16-8-13-6-10(13)2/h4-5,7,10-11,13H,6,8,15H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyKSLDRCCBVHJVTR-AKJDGMEZSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine (CID 155370336) is (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine is Cc1ccc([C@H](C)N)cc1OCC1CC1C.
What is the InChIKey of (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine?
The InChIKey is KSLDRCCBVHJVTR-AKJDGMEZSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-4-5-12(11(3)15)7-14(9)16-8-13-6-10(13)2/h4-5,7,10-11,13H,6,8,15H2,1-3H3/t10?,11-,13?/m0/s1.
What are the key properties of (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine?
(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 155370336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).