2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine

C19H26N2 — CID 65487407

IUPAC2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-18(19(20)17-12-8-5-9-13-17)21(2)15-14-16-10-6-4-7-11-16/h4-13,18-19H,3,14-15,20H2,1-2H3
InChIKeyJCMFIRFAJPLBBC-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.64
Rot. Bonds7

About 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine

2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine (PubChem CID 65487407) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
PubChem CID65487407
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-18(19(20)17-12-8-5-9-13-17)21(2)15-14-16-10-6-4-7-11-16/h4-13,18-19H,3,14-15,20H2,1-2H3
InChIKeyJCMFIRFAJPLBBC-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-4-ylbutane-1,2-diamine
CID 65482923
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-2-ylbutane-1,2-diamine
CID 65485650
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine (CID 65487407) is 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine is CCC(C(N)c1ccccc1)N(C)CCc1ccccc1.
What is the InChIKey of 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine?
The InChIKey is JCMFIRFAJPLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-18(19(20)17-12-8-5-9-13-17)21(2)15-14-16-10-6-4-7-11-16/h4-13,18-19H,3,14-15,20H2,1-2H3.
What are the key properties of 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine?
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine is sourced from PubChem (CID 65487407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).