(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine

C14H20ClNO — CID 81378620

IUPAC(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11(13-7-2-3-8-14(13)15)16-10-12-6-4-5-9-17-12/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyICRZQGDDZMASSI-JHJMLUEUSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine

(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 81378620) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID81378620
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11(13-7-2-3-8-14(13)15)16-10-12-6-4-5-9-17-12/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyICRZQGDDZMASSI-JHJMLUEUSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 81378620) is (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine is C[C@@H](NCC1CCCCO1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is ICRZQGDDZMASSI-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(13-7-2-3-8-14(13)15)16-10-12-6-4-5-9-17-12/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 81378620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).