2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine

C17H29N3 — CID 63206599

IUPAC2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCC(c1ccccc1)C(CN)N(C)CCN1CCCC1
InChIInChI=1S/C17H29N3/c1-15(16-8-4-3-5-9-16)17(14-18)19(2)12-13-20-10-6-7-11-20/h3-5,8-9,15,17H,6-7,10-14,18H2,1-2H3
InChIKeyVAUJEPWFPCLYFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.14
Rot. Bonds7

About 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine

2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (PubChem CID 63206599) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
PubChem CID63206599
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCC(c1ccccc1)C(CN)N(C)CCN1CCCC1
InChIInChI=1S/C17H29N3/c1-15(16-8-4-3-5-9-16)17(14-18)19(2)12-13-20-10-6-7-11-20/h3-5,8-9,15,17H,6-7,10-14,18H2,1-2H3
InChIKeyVAUJEPWFPCLYFX-UHFFFAOYSA-N
XLogP2.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207033
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
1-(2-ethylphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206559
N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
CID 117066717
1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 106528656
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 131905999
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211260

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (CID 63206599) is 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is CC(c1ccccc1)C(CN)N(C)CCN1CCCC1.
What is the InChIKey of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The InChIKey is VAUJEPWFPCLYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(16-8-4-3-5-9-16)17(14-18)19(2)12-13-20-10-6-7-11-20/h3-5,8-9,15,17H,6-7,10-14,18H2,1-2H3.
What are the key properties of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 63206599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).