N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C17H27ClN2O — CID 103292689

IUPACN-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Cl)c1CN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-10-13-8-9-20(11-13)12-14-15(18)6-5-7-16(14)21-4/h5-7,13,19H,8-12H2,1-4H3
InChIKeyNTPLFVYXSGKHQX-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.56
Rot. Bonds5

About N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103292689) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103292689
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Cl)c1CN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-10-13-8-9-20(11-13)12-14-15(18)6-5-7-16(14)21-4/h5-7,13,19H,8-12H2,1-4H3
InChIKeyNTPLFVYXSGKHQX-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
CID 104816746
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 102856195
2-[1-[(2-chloro-6-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 104818988
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 103292689) is N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is COc1cccc(Cl)c1CN1CCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NTPLFVYXSGKHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,3)19-10-13-8-9-20(11-13)12-14-15(18)6-5-7-16(14)21-4/h5-7,13,19H,8-12H2,1-4H3.
What are the key properties of N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103292689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).