N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

C16H24ClNO — CID 114534620

IUPACN-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Cl)c2)CCOC1C
InChIInChI=1S/C16H24ClNO/c1-12(2)18-11-16(7-8-19-13(16)3)10-14-5-4-6-15(17)9-14/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3
InChIKeyCQSCHBDSCYIZQY-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 114534620) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
PubChem CID114534620
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Cl)c2)CCOC1C
InChIInChI=1S/C16H24ClNO/c1-12(2)18-11-16(7-8-19-13(16)3)10-14-5-4-6-15(17)9-14/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3
InChIKeyCQSCHBDSCYIZQY-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534739
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534710
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534634
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534767
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534723

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (CID 114534620) is N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cccc(Cl)c2)CCOC1C.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is CQSCHBDSCYIZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)18-11-16(7-8-19-13(16)3)10-14-5-4-6-15(17)9-14/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114534620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).