(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine

C18H21NO — CID 94074371

IUPAC(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
SMILESC#CCOc1ccc2ccccc2c1CN[C@H](C)CC
InChIInChI=1S/C18H21NO/c1-4-12-20-18-11-10-15-8-6-7-9-16(15)17(18)13-19-14(3)5-2/h1,6-11,14,19H,5,12-13H2,2-3H3/t14-/m1/s1
InChIKeyAFTSXMIPNZUFLH-CQSZACIVSA-N
MW267.37 g/mol
LogP3.74
Rot. Bonds6

About (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine

(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine (PubChem CID 94074371) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
PubChem CID94074371
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
SMILESC#CCOc1ccc2ccccc2c1CN[C@H](C)CC
InChIInChI=1S/C18H21NO/c1-4-12-20-18-11-10-15-8-6-7-9-16(15)17(18)13-19-14(3)5-2/h1,6-11,14,19H,5,12-13H2,2-3H3/t14-/m1/s1
InChIKeyAFTSXMIPNZUFLH-CQSZACIVSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
CID 54929503
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531760
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992052
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine (CID 94074371) is (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine is C#CCOc1ccc2ccccc2c1CN[C@H](C)CC.
What is the InChIKey of (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine?
The InChIKey is AFTSXMIPNZUFLH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-12-20-18-11-10-15-8-6-7-9-16(15)17(18)13-19-14(3)5-2/h1,6-11,14,19H,5,12-13H2,2-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine?
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine is sourced from PubChem (CID 94074371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).