(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine

C19H31NO2 — CID 125432814

IUPAC(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
SMILESCOc1ccc(CNC2C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1
InChIInChI=1S/C19H31NO2/c1-13(2)18-10-16(11-19(22-18)14(3)4)20-12-15-6-8-17(21-5)9-7-15/h6-9,13-14,16,18-20H,10-12H2,1-5H3/t18-,19-/m1/s1
InChIKeyMGRPDMITEUROCW-RTBURBONSA-N
MW305.46 g/mol
LogP4.01
Rot. Bonds6

About (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine

(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine (PubChem CID 125432814) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
PubChem CID125432814
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
SMILESCOc1ccc(CNC2C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1
InChIInChI=1S/C19H31NO2/c1-13(2)18-10-16(11-19(22-18)14(3)4)20-12-15-6-8-17(21-5)9-7-15/h6-9,13-14,16,18-20H,10-12H2,1-5H3/t18-,19-/m1/s1
InChIKeyMGRPDMITEUROCW-RTBURBONSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine
CID 125433840
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
(3S,6S)-6-benzhydryl-N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 52951980
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The IUPAC name of (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine (CID 125432814) is (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine is COc1ccc(CNC2C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1.
What is the InChIKey of (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The InChIKey is MGRPDMITEUROCW-RTBURBONSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13(2)18-10-16(11-19(22-18)14(3)4)20-12-15-6-8-17(21-5)9-7-15/h6-9,13-14,16,18-20H,10-12H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine?
(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine has a molecular weight of 305.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 125432814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).