1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C17H28N2 — CID 106602939

IUPAC1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCN1)C(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)19(13-17-10-7-11-18-17)15(3)12-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3
InChIKeyMNGDEOUFCGFBGE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds6

About 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine

1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106602939) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106602939
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCN1)C(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)19(13-17-10-7-11-18-17)15(3)12-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3
InChIKeyMNGDEOUFCGFBGE-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106622166
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859
N-[1-(2-ethoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602862
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602818
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106602939) is 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)N(CC1CCCN1)C(C)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is MNGDEOUFCGFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)19(13-17-10-7-11-18-17)15(3)12-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13H2,1-3H3.
What are the key properties of 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106602939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).