1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine

C14H20ClNO — CID 82834455

IUPAC1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C14H20ClNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2,4-5,9,11,14,16H,3,6-8,10H2,1H3
InChIKeyRJBQMHFXNYBNRY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine

1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine (PubChem CID 82834455) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
PubChem CID82834455
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C14H20ClNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2,4-5,9,11,14,16H,3,6-8,10H2,1H3
InChIKeyRJBQMHFXNYBNRY-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61474165
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 51950187
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine (CID 82834455) is 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine is CC(Cc1cccc(Cl)c1)NCC1CCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The InChIKey is RJBQMHFXNYBNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2,4-5,9,11,14,16H,3,6-8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 82834455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).