N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C13H19NO2 — CID 964934

IUPACN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1ccccc1CNC[C@@H]1CCCO1
InChIInChI=1S/C13H19NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3/t12-/m0/s1
InChIKeyUTJJRYCDUQTLRM-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 964934) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID964934
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1ccccc1CNC[C@@H]1CCCO1
InChIInChI=1S/C13H19NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3/t12-/m0/s1
InChIKeyUTJJRYCDUQTLRM-LBPRGKRZSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138447
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 964934) is N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is COc1ccccc1CNC[C@@H]1CCCO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is UTJJRYCDUQTLRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).