N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine

C14H21ClN2O — CID 114064884

IUPACN-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-14(6-8-18-10)17(2)12-4-3-11(5-7-16)13(15)9-12/h3-4,9-10,14H,5-8,16H2,1-2H3
InChIKeyJQCTXRDJHHZIOC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds4

About N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine

N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 114064884) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID114064884
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-14(6-8-18-10)17(2)12-4-3-11(5-7-16)13(15)9-12/h3-4,9-10,14H,5-8,16H2,1-2H3
InChIKeyJQCTXRDJHHZIOC-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
CID 114845807
4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114064873
N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82733742
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 113388563
4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 114064874
3-chloro-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 102666326
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine (CID 114064884) is N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)c1ccc(CCN)c(Cl)c1.
What is the InChIKey of N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is JQCTXRDJHHZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-14(6-8-18-10)17(2)12-4-3-11(5-7-16)13(15)9-12/h3-4,9-10,14H,5-8,16H2,1-2H3.
What are the key properties of N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine?
N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 114064884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).