N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine

C18H31NO — CID 139475190

IUPACN-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
SMILESC[C@H](CNCC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(12-19-13-17(2,3)4)20-16-10-8-9-15(11-16)18(5,6)7/h8-11,14,19H,12-13H2,1-7H3/t14-/m1/s1
InChIKeyYOTRYLHXTISUBL-CQSZACIVSA-N
MW277.45 g/mol
LogP4.39
Rot. Bonds5

About N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine

N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine (PubChem CID 139475190) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
PubChem CID139475190
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
SMILESC[C@H](CNCC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(12-19-13-17(2,3)4)20-16-10-8-9-15(11-16)18(5,6)7/h8-11,14,19H,12-13H2,1-7H3/t14-/m1/s1
InChIKeyYOTRYLHXTISUBL-CQSZACIVSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine (CID 139475190) is N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine is C[C@H](CNCC(C)(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine?
The InChIKey is YOTRYLHXTISUBL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(12-19-13-17(2,3)4)20-16-10-8-9-15(11-16)18(5,6)7/h8-11,14,19H,12-13H2,1-7H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine?
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 139475190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).