1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine

C14H24N2O — CID 79680323

IUPAC1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
SMILESC[C@H](N)c1ccc(OCC(C)(C)N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(15)12-6-8-13(9-7-12)17-10-14(2,3)16(4)5/h6-9,11H,10,15H2,1-5H3/t11-/m0/s1
InChIKeyBCZVJFKWZXBHOL-NSHDSACASA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine

1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79680323) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79680323
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
SMILESC[C@H](N)c1ccc(OCC(C)(C)N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(15)12-6-8-13(9-7-12)17-10-14(2,3)16(4)5/h6-9,11H,10,15H2,1-5H3/t11-/m0/s1
InChIKeyBCZVJFKWZXBHOL-NSHDSACASA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680037
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pentan-3-ol
CID 104930422
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
5-[4-[(1S)-1-aminoethyl]phenoxy]-2,2-dimethylpentanenitrile
CID 65256682

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine (CID 79680323) is 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine is C[C@H](N)c1ccc(OCC(C)(C)N(C)C)cc1.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is BCZVJFKWZXBHOL-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(15)12-6-8-13(9-7-12)17-10-14(2,3)16(4)5/h6-9,11H,10,15H2,1-5H3/t11-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine?
1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79680323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).