N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C16H25ClN2 — CID 62512740

IUPACN-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)18-10-14-8-9-19(12-14)11-13-4-6-15(17)7-5-13/h4-7,14,18H,8-12H2,1-3H3
InChIKeyUGEBRONPNCQQIN-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.55
Rot. Bonds4

About N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62512740) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62512740
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)18-10-14-8-9-19(12-14)11-13-4-6-15(17)7-5-13/h4-7,14,18H,8-12H2,1-3H3
InChIKeyUGEBRONPNCQQIN-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(tert-butylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 63847968
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 103292689
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62512740) is N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UGEBRONPNCQQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-16(2,3)18-10-14-8-9-19(12-14)11-13-4-6-15(17)7-5-13/h4-7,14,18H,8-12H2,1-3H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62512740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).