(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine

C14H20ClNO — CID 81372258

IUPAC(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(12-5-4-6-13(15)9-12)16-10-14-7-2-3-8-17-14/h4-6,9,11,14,16H,2-3,7-8,10H2,1H3/t11-,14?/m1/s1
InChIKeyABJFJYFRZGXJRY-YNODCEANSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine

(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 81372258) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID81372258
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(12-5-4-6-13(15)9-12)16-10-14-7-2-3-8-17-14/h4-6,9,11,14,16H,2-3,7-8,10H2,1H3/t11-,14?/m1/s1
InChIKeyABJFJYFRZGXJRY-YNODCEANSA-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-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
1-(3-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102298
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907396
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 82834455
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 81372258) is (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine is C[C@@H](NCC1CCCCO1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is ABJFJYFRZGXJRY-YNODCEANSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(12-5-4-6-13(15)9-12)16-10-14-7-2-3-8-17-14/h4-6,9,11,14,16H,2-3,7-8,10H2,1H3/t11-,14?/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
(1R)-1-(3-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-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 81372258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).