(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine

C14H24N2 — CID 124511355

IUPAC(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
SMILESCCC(CC)([C@H](N)c1ccccc1)N(C)C
InChIInChI=1S/C14H24N2/c1-5-14(6-2,16(3)4)13(15)12-10-8-7-9-11-12/h7-11,13H,5-6,15H2,1-4H3/t13-/m1/s1
InChIKeyLVMRGZSNALJHLF-CYBMUJFWSA-N
MW220.36 g/mol
LogP2.81
Rot. Bonds5

About (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine

(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine (PubChem CID 124511355) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
PubChem CID124511355
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
SMILESCCC(CC)([C@H](N)c1ccccc1)N(C)C
InChIInChI=1S/C14H24N2/c1-5-14(6-2,16(3)4)13(15)12-10-8-7-9-11-12/h7-11,13H,5-6,15H2,1-4H3/t13-/m1/s1
InChIKeyLVMRGZSNALJHLF-CYBMUJFWSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The IUPAC name of (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine (CID 124511355) is (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine is CCC(CC)([C@H](N)c1ccccc1)N(C)C.
What is the InChIKey of (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The InChIKey is LVMRGZSNALJHLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(6-2,16(3)4)13(15)12-10-8-7-9-11-12/h7-11,13H,5-6,15H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 124511355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).