(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine

C17H29NO — CID 58313669

IUPAC(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
SMILESCOc1ccccc1[C@H](C)CC(C)CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-13(12-18-17(3,4)5)11-14(2)15-9-7-8-10-16(15)19-6/h7-10,13-14,18H,11-12H2,1-6H3/t13?,14-/m1/s1
InChIKeyYYYBZGOZDYTFQZ-ARLHGKGLSA-N
MW263.43 g/mol
LogP4.21
Rot. Bonds6

About (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine

(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine (PubChem CID 58313669) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
PubChem CID58313669
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
SMILESCOc1ccccc1[C@H](C)CC(C)CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-13(12-18-17(3,4)5)11-14(2)15-9-7-8-10-16(15)19-6/h7-10,13-14,18H,11-12H2,1-6H3/t13?,14-/m1/s1
InChIKeyYYYBZGOZDYTFQZ-ARLHGKGLSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 58313619
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
CID 102607756
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
1-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712

Frequently Asked Questions

What is the IUPAC name of (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine (CID 58313669) is (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine is COc1ccccc1[C@H](C)CC(C)CNC(C)(C)C.
What is the InChIKey of (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is YYYBZGOZDYTFQZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(12-18-17(3,4)5)11-14(2)15-9-7-8-10-16(15)19-6/h7-10,13-14,18H,11-12H2,1-6H3/t13?,14-/m1/s1.
What are the key properties of (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine?
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 58313669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).