1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine

C12H19NO — CID 92983616

IUPAC1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
SMILESCC[C@@H](C)Oc1ccc(CNC)cc1
InChIInChI=1S/C12H19NO/c1-4-10(2)14-12-7-5-11(6-8-12)9-13-3/h5-8,10,13H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyDJRFORUWPNQAQF-SNVBAGLBSA-N
MW193.29 g/mol
LogP2.58
Rot. Bonds5

About 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine

1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine (PubChem CID 92983616) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
PubChem CID92983616
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
SMILESCC[C@@H](C)Oc1ccc(CNC)cc1
InChIInChI=1S/C12H19NO/c1-4-10(2)14-12-7-5-11(6-8-12)9-13-3/h5-8,10,13H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyDJRFORUWPNQAQF-SNVBAGLBSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
4-butan-2-yloxy-N-methylaniline
CID 54803415
N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
2-[4-(methylaminomethyl)phenoxy]butanamide
CID 62900383
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
N-[(4-butan-2-yloxyphenyl)methyl]-3-chloro-4-methylaniline
CID 54797958
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine (CID 92983616) is 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine is CC[C@@H](C)Oc1ccc(CNC)cc1.
What is the InChIKey of 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine?
The InChIKey is DJRFORUWPNQAQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10(2)14-12-7-5-11(6-8-12)9-13-3/h5-8,10,13H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine?
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 92983616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).