(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine

C17H16BrNOS — CID 63368464

IUPAC(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
SMILESC[C@H](N)c1ccc2ccccc2c1OCc1cc(Br)cs1
InChIInChI=1S/C17H16BrNOS/c1-11(19)15-7-6-12-4-2-3-5-16(12)17(15)20-9-14-8-13(18)10-21-14/h2-8,10-11H,9,19H2,1H3/t11-/m0/s1
InChIKeyLHYRXLUATFQACN-NSHDSACASA-N
MW362.29 g/mol
LogP5.26
Rot. Bonds4

About (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine

(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine (PubChem CID 63368464) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
PubChem CID63368464
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
SMILESC[C@H](N)c1ccc2ccccc2c1OCc1cc(Br)cs1
InChIInChI=1S/C17H16BrNOS/c1-11(19)15-7-6-12-4-2-3-5-16(12)17(15)20-9-14-8-13(18)10-21-14/h2-8,10-11H,9,19H2,1H3/t11-/m0/s1
InChIKeyLHYRXLUATFQACN-NSHDSACASA-N
XLogP5.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.29
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(thiophen-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 60889983
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78936454
(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
CID 103953958
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368469
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine (CID 63368464) is (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine is C[C@H](N)c1ccc2ccccc2c1OCc1cc(Br)cs1.
What is the InChIKey of (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine?
The InChIKey is LHYRXLUATFQACN-NSHDSACASA-N. The full InChI is InChI=1S/C17H16BrNOS/c1-11(19)15-7-6-12-4-2-3-5-16(12)17(15)20-9-14-8-13(18)10-21-14/h2-8,10-11H,9,19H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine?
(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine has a molecular weight of 362.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine is sourced from PubChem (CID 63368464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).