N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine

C16H25ClN2O — CID 114852955

IUPACN-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
SMILESCC(C)CNCc1cc(Cl)ccc1N(C)C1CCOC1
InChIInChI=1S/C16H25ClN2O/c1-12(2)9-18-10-13-8-14(17)4-5-16(13)19(3)15-6-7-20-11-15/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3
InChIKeyQLANAVYCOQWJQS-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.31
Rot. Bonds6

About N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine

N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine (PubChem CID 114852955) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
PubChem CID114852955
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
SMILESCC(C)CNCc1cc(Cl)ccc1N(C)C1CCOC1
InChIInChI=1S/C16H25ClN2O/c1-12(2)9-18-10-13-8-14(17)4-5-16(13)19(3)15-6-7-20-11-15/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3
InChIKeyQLANAVYCOQWJQS-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-[[2-bromo-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methyloxolan-3-amine
CID 102771788
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754420
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
CID 82753960
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
N-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N-methyloxan-4-amine
CID 114848548
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine (CID 114852955) is N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine is CC(C)CNCc1cc(Cl)ccc1N(C)C1CCOC1.
What is the InChIKey of N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine?
The InChIKey is QLANAVYCOQWJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)9-18-10-13-8-14(17)4-5-16(13)19(3)15-6-7-20-11-15/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3.
What are the key properties of N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine?
N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine has a molecular weight of 296.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 114852955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).